![ethyl 2-({[2-(4-chlorophenyl)cyclopropyl]carbonyl}amino)-5,6,7,8,9,10,11,12,13,14-decahydro-4H-cyclotrideca[b]thiophene-3-carboxylate structure](/static/products/5225/522597-77-9.webp)
ethyl 2-({[2-(4-chlorophenyl)cyclopropyl]carbonyl}amino)-5,6,7,8,9,10,11,12,13,14-decahydro-4H-cyclotrideca[b]thiophene-3-carboxylate
TL;DR: ethyl 2-({[2-(4-chlorophenyl)cyclopropyl]carbonyl}amino)-5,6,7,8,9,10,11,12,13,14-decahydro-4H-cyclotrideca[b]thiophene-3-carboxylate (CAS 522597-77-9) is a chemical compound with molecular formula C28H36ClNO3S and molecular weight 501.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 15-[[2-(4-chlorophenyl)cyclopropanecarbonyl]amino]-14-thiabicyclo[11.3.0]hexadeca-1(13),15-diene-16-carboxylate
Also Known As: ethyl 2-({[2-(4-chlorophenyl)cyclopropyl]carbonyl}amino)-5,6,7,8,9,10,11,12,13,14-decahydro-4H-cyclotrideca[b]thiophene-3-carboxylate, ethyl 15-[[2-(4-chlorophenyl)cyclopropanecarbonyl]amino]-14-thiabicyclo[11.3.0]hexadeca-1(13),15-diene-16-carboxylate, Ethyl 2-(2-(4-chlorophenyl)cyclopropane-1-carboxamido)-5,6,7,8,9,10,11,12,13,14-decahydro-4H-cyclotrideca[b]thiophene-3-carboxylate, ethyl 2-(2-(4-chlorophenyl)cyclopropanecarboxamido)-5,6,7,8,9,10,11,12,13,14-decahydro-4H-cyclotrideca[b]thiophene-3-carboxylate, ethyl 2-{[2-(4-chlorophenyl)cyclopropyl]carbonylamino}-4,5,6,7,8,9,10,11,12,13 ,14-undecahydrocyclotrideca[2,1-b]thiophene-3-carboxylate
| Molecular Formula | C28H36ClNO3S |
|---|---|
| Molecular Weight | 501.21 g/mol |
| LogP | 7.9299 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 501.21045 |
| Heavy Atoms | 34 |
| Complexity | 984.2826 |
Chemical Identifiers
| CAS Number | 522597-77-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCCCCCCCCC2)NC(=O)C3CC3C4=CC=C(C=C4)Cl |
Product Overview
ethyl 2-({[2-(4-chlorophenyl)cyclopropyl]carbonyl}amino)-5,6,7,8,9,10,11,12,13,14-decahydro-4H-cyclotrideca[b]thiophene-3-carboxylate (CAS 522597-77-9), with molecular formula C28H36ClNO3S and molecular weight 501.21 g/mol. IUPAC: ethyl 15-[[2-(4-chlorophenyl)cyclopropanecarbonyl]amino]-14-thiabicyclo[11.3.0]hexadeca-1(13),15-diene-16-carboxylate.
Chemical Property Profile of ethyl 2-({[2-(4-chlorophenyl)cyclopropyl]carbonyl}amino)-5,6,7,8,9,10,11,12,13,14-decahydro-4H-cyclotrideca[b]thiophene-3-carboxylate
Property Insights of ethyl 2-({[2-(4-chlorophenyl)cyclopropyl]carbonyl}amino)-5,6,7,8,9,10,11,12,13,14-decahydro-4H-cyclotrideca[b]thiophene-3-carboxylate
The XLogP value of 7.9299 indicates that ethyl 2-({[2-(4-chlorophenyl)cyclopropyl]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-({[2-(4-chlorophenyl)cyclopropyl]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-({[2-(4-chlorophenyl)cyclopropyl]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 4 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-({[2-(4-chlorophenyl)cyclopropyl]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-({[2-(4-chlorophenyl)cyclopropyl]carbonyl}amino)-5,6,7,8,9,10,11,12,13,14-decahydro-4H-cyclotrideca[b]thiophene-3-carboxylate is 522597-77-9.
What is the molecular formula of ethyl 2-({[2-(4-chlorophenyl)cyclopropyl]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-({[2-(4-chlorophenyl)cyclopropyl]carbonyl}amino)-5,6,7,8,9,10,11,12,13,14-decahydro-4H-cyclotrideca[b]thiophene-3-carboxylate is C28H36ClNO3S.
What is the molecular weight of ethyl 2-({[2-(4-chlorophenyl)cyclopropyl]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-({[2-(4-chlorophenyl)cyclopropyl]carbonyl}amino)-5,6,7,8,9,10,11,12,13,14-decahydro-4H-cyclotrideca[b]thiophene-3-carboxylate is 501.21 g/mol.
Where can I buy ethyl 2-({[2-(4-chlorophenyl)cyclopropyl]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-({[2-(4-chlorophenyl)cyclopropyl]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-({[2-(4-chlorophenyl)cyclopropyl]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-({[2-(4-chlorophenyl)cyclopropyl]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.