![Ethyl 2-[[[6-(1,1-dimethylethyl)-4,5,6,7-tetrahydrobenzo[b]thien-3-yl]carbonyl]amino]-5,6,7,8,9,10,11,12,13,14-decahydro-4H-cyclotrideca[b]thiophene-3-carboxylate structure](/static/products/4382/438227-15-7.webp)
Ethyl 2-[[[6-(1,1-dimethylethyl)-4,5,6,7-tetrahydrobenzo[b]thien-3-yl]carbonyl]amino]-5,6,7,8,9,10,11,12,13,14-decahydro-4H-cyclotrideca[b]thiophene-3-carboxylate
TL;DR: Ethyl 2-[[[6-(1,1-dimethylethyl)-4,5,6,7-tetrahydrobenzo[b]thien-3-yl]carbonyl]amino]-5,6,7,8,9,10,11,12,13,14-decahydro-4H-cyclotrideca[b]thiophene-3-carboxylate (CAS 438227-15-7) is a chemical compound with molecular formula C31H45NO3S2 and molecular weight 543.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 15-[(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]-14-thiabicyclo[11.3.0]hexadeca-1(13),15-diene-16-carboxylate
Also Known As: Ethyl 2-[[[6-(1,1-dimethylethyl)-4,5,6,7-tetrahydrobenzo[b]thien-3-yl]carbonyl]amino]-5,6,7,8,9,10,11,12,13,14-decahydro-4H-cyclotrideca[b]thiophene-3-carboxylate, ethyl 15-[(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]-14-thiabicyclo[11.3.0]hexadeca-1(13),15-diene-16-carboxylate, ethyl 2-{[(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)carbonyl]amino}-5,6,7,8,9,10,11,12,13,14-decahydro-4H-cyclotrideca[b]thiophene-3-carboxylate, Ethyl 2-(6-(tert-butyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamido)-5,6,7,8,9,10,11,12,13,14-decahydro-4H-cyclotrideca[b]thiophene-3-carboxylate, ethyl 2-{[(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothien-3-yl)carbonyl]amino}-5,6,7,8,9,10,11,12,13,14-decahydro-4H-cyclotrideca[b]thiophene-3-carboxylate
| Molecular Formula | C31H45NO3S2 |
|---|---|
| Molecular Weight | 543.28 g/mol |
| LogP | 8.9991 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 543.28406 |
| Heavy Atoms | 37 |
| Complexity | 1075.1274 |
Chemical Identifiers
| CAS Number | 438227-15-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCCCCCCCCC2)NC(=O)C3=CSC4=C3CCC(C4)C(C)(C)C |
Product Overview
Ethyl 2-[[[6-(1,1-dimethylethyl)-4,5,6,7-tetrahydrobenzo[b]thien-3-yl]carbonyl]amino]-5,6,7,8,9,10,11,12,13,14-decahydro-4H-cyclotrideca[b]thiophene-3-carboxylate (CAS 438227-15-7), with molecular formula C31H45NO3S2 and molecular weight 543.28 g/mol. IUPAC: ethyl 15-[(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]-14-thiabicyclo[11.3.0]hexadeca-1(13),15-diene-16-carboxylate.
Chemical Property Profile of Ethyl 2-[[[6-(1,1-dimethylethyl)-4,5,6,7-tetrahydrobenzo[b]thien-3-yl]carbonyl]amino]-5,6,7,8,9,10,11,12,13,14-decahydro-4H-cyclotrideca[b]thiophene-3-carboxylate
Property Insights of Ethyl 2-[[[6-(1,1-dimethylethyl)-4,5,6,7-tetrahydrobenzo[b]thien-3-yl]carbonyl]amino]-5,6,7,8,9,10,11,12,13,14-decahydro-4H-cyclotrideca[b]thiophene-3-carboxylate
The XLogP value of 8.9991 indicates that Ethyl 2-[[[6-(1,1-dimethylethyl)-4,5,6,7-tetrahydrobenzo[b]thien-3-yl]carbonyl]amino]-5,6,7,8,9,10,11,12,13,14-decahydro-4H-cyclotrideca[b]thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, Ethyl 2-[[[6-(1,1-dimethylethyl)-4,5,6,7-tetrahydrobenzo[b]thien-3-yl]carbonyl]amino]-5,6,7,8,9,10,11,12,13,14-decahydro-4H-cyclotrideca[b]thiophene-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-[[[6-(1,1-dimethylethyl)-4,5,6,7-tetrahydrobenzo[b]thien-3-yl]carbonyl]amino]-5,6,7,8,9,10,11,12,13,14-decahydro-4H-cyclotrideca[b]thiophene-3-carboxylate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 2-[[[6-(1,1-dimethylethyl)-4,5,6,7-tetrahydrobenzo[b]thien-3-yl]carbonyl]amino]-5,6,7,8,9,10,11,12,13,14-decahydro-4H-cyclotrideca[b]thiophene-3-carboxylate?
The CAS number of Ethyl 2-[[[6-(1,1-dimethylethyl)-4,5,6,7-tetrahydrobenzo[b]thien-3-yl]carbonyl]amino]-5,6,7,8,9,10,11,12,13,14-decahydro-4H-cyclotrideca[b]thiophene-3-carboxylate is 438227-15-7.
What is the molecular formula of Ethyl 2-[[[6-(1,1-dimethylethyl)-4,5,6,7-tetrahydrobenzo[b]thien-3-yl]carbonyl]amino]-5,6,7,8,9,10,11,12,13,14-decahydro-4H-cyclotrideca[b]thiophene-3-carboxylate?
The molecular formula of Ethyl 2-[[[6-(1,1-dimethylethyl)-4,5,6,7-tetrahydrobenzo[b]thien-3-yl]carbonyl]amino]-5,6,7,8,9,10,11,12,13,14-decahydro-4H-cyclotrideca[b]thiophene-3-carboxylate is C31H45NO3S2.
What is the molecular weight of Ethyl 2-[[[6-(1,1-dimethylethyl)-4,5,6,7-tetrahydrobenzo[b]thien-3-yl]carbonyl]amino]-5,6,7,8,9,10,11,12,13,14-decahydro-4H-cyclotrideca[b]thiophene-3-carboxylate?
The molecular weight of Ethyl 2-[[[6-(1,1-dimethylethyl)-4,5,6,7-tetrahydrobenzo[b]thien-3-yl]carbonyl]amino]-5,6,7,8,9,10,11,12,13,14-decahydro-4H-cyclotrideca[b]thiophene-3-carboxylate is 543.28 g/mol.
Where can I buy Ethyl 2-[[[6-(1,1-dimethylethyl)-4,5,6,7-tetrahydrobenzo[b]thien-3-yl]carbonyl]amino]-5,6,7,8,9,10,11,12,13,14-decahydro-4H-cyclotrideca[b]thiophene-3-carboxylate?
You can request a quote for Ethyl 2-[[[6-(1,1-dimethylethyl)-4,5,6,7-tetrahydrobenzo[b]thien-3-yl]carbonyl]amino]-5,6,7,8,9,10,11,12,13,14-decahydro-4H-cyclotrideca[b]thiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-[[[6-(1,1-dimethylethyl)-4,5,6,7-tetrahydrobenzo[b]thien-3-yl]carbonyl]amino]-5,6,7,8,9,10,11,12,13,14-decahydro-4H-cyclotrideca[b]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[[[6-(1,1-dimethylethyl)-4,5,6,7-tetrahydrobenzo[b]thien-3-yl]carbonyl]amino]-5,6,7,8,9,10,11,12,13,14-decahydro-4H-cyclotrideca[b]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.