![Ethyl 14-[(4-tert-butylbenzoyl)amino]-13-thiabicyclo[10.3.0]pentadec-14-ene-15-carboxylate structure](/static/products/461/461431-72-1.png)
Ethyl 14-[(4-tert-butylbenzoyl)amino]-13-thiabicyclo[10.3.0]pentadec-14-ene-15-carboxylate
TL;DR: Ethyl 14-[(4-tert-butylbenzoyl)amino]-13-thiabicyclo[10.3.0]pentadec-14-ene-15-carboxylate (CAS 461431-72-1) is a chemical compound with molecular formula C28H41NO3S and molecular weight 471.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(4-tert-butylbenzoyl)amino]-3a,4,5,6,7,8,9,10,11,12,13,13a-dodecahydrocyclododeca[b]thiophene-3-carboxylate
Also Known As: Ethyl 14-[(4-tert-butylbenzoyl)amino]-13-thiabicyclo[10.3.0]pentadec-14-ene-15-carboxylate, ethyl 2-(4-(tert-butyl)benzamido)-3a,4,5,6,7,8,9,10,11,12,13,13a-dodecahydrocyclododeca[b]thiophene-3-carboxylate, ethyl 2-[(4-tert-butylbenzoyl)amino]-3a,4,5,6,7,8,9,10,11,12,13,13a-dodecahydrocyclododeca[b]thiophene-3-carboxylate, ethyl 2-{[(4-tert-butylphenyl)carbonyl]amino}-3a,4,5,6,7,8,9,10,11,12,13,13a-dodecahydrocyclododeca[b]thiophene-3-carboxylate
| Molecular Formula | C28H41NO3S |
|---|---|
| Molecular Weight | 471.28 g/mol |
| LogP | 7.1348 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 471.2807 |
| Heavy Atoms | 33 |
| Complexity | 837.6936 |
Chemical Identifiers
| CAS Number | 461431-72-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2C1CCCCCCCCCC2)NC(=O)C3=CC=C(C=C3)C(C)(C)C |
Product Overview
Ethyl 14-[(4-tert-butylbenzoyl)amino]-13-thiabicyclo[10.3.0]pentadec-14-ene-15-carboxylate (CAS 461431-72-1), with molecular formula C28H41NO3S and molecular weight 471.28 g/mol. IUPAC: ethyl 2-[(4-tert-butylbenzoyl)amino]-3a,4,5,6,7,8,9,10,11,12,13,13a-dodecahydrocyclododeca[b]thiophene-3-carboxylate.
Chemical Property Profile of Ethyl 14-[(4-tert-butylbenzoyl)amino]-13-thiabicyclo[10.3.0]pentadec-14-ene-15-carboxylate
Property Insights of Ethyl 14-[(4-tert-butylbenzoyl)amino]-13-thiabicyclo[10.3.0]pentadec-14-ene-15-carboxylate
The XLogP value of 7.1348 indicates that Ethyl 14-[(4-tert-butylbenzoyl)amino]-13-thiabicyclo[10.3.0]pentadec-14-ene-15-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 14-[(4-tert-butylbenzoyl)amino]-13-thiabicyclo[10.3.0]pentadec-14-ene-15-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 14-[(4-tert-butylbenzoyl)amino]-13-thiabicyclo[10.3.0]pentadec-14-ene-15-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 14-[(4-tert-butylbenzoyl)amino]-13-thiabicyclo[10.3.0]pentadec-14-ene-15-carboxylate?
The CAS number of Ethyl 14-[(4-tert-butylbenzoyl)amino]-13-thiabicyclo[10.3.0]pentadec-14-ene-15-carboxylate is 461431-72-1.
What is the molecular formula of Ethyl 14-[(4-tert-butylbenzoyl)amino]-13-thiabicyclo[10.3.0]pentadec-14-ene-15-carboxylate?
The molecular formula of Ethyl 14-[(4-tert-butylbenzoyl)amino]-13-thiabicyclo[10.3.0]pentadec-14-ene-15-carboxylate is C28H41NO3S.
What is the molecular weight of Ethyl 14-[(4-tert-butylbenzoyl)amino]-13-thiabicyclo[10.3.0]pentadec-14-ene-15-carboxylate?
The molecular weight of Ethyl 14-[(4-tert-butylbenzoyl)amino]-13-thiabicyclo[10.3.0]pentadec-14-ene-15-carboxylate is 471.28 g/mol.
Where can I buy Ethyl 14-[(4-tert-butylbenzoyl)amino]-13-thiabicyclo[10.3.0]pentadec-14-ene-15-carboxylate?
You can request a quote for Ethyl 14-[(4-tert-butylbenzoyl)amino]-13-thiabicyclo[10.3.0]pentadec-14-ene-15-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 14-[(4-tert-butylbenzoyl)amino]-13-thiabicyclo[10.3.0]pentadec-14-ene-15-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 14-[(4-tert-butylbenzoyl)amino]-13-thiabicyclo[10.3.0]pentadec-14-ene-15-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.