BAS 00541778
TL;DR: BAS 00541778 (CAS 314055-75-9) is a chemical compound with molecular formula C19H19Cl2NO3S and molecular weight 411.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(2,4-dichlorobenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Also Known As: BAS 00541778, ethyl 2-[(2,4-dichlorobenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, ethyl 2-(2,4-dichlorobenzamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, ETHYL 2-(2,4-DICHLOROBENZAMIDO)-4H,5H,6H,7H,8H-CYCLOHEPTA[B]THIOPHENE-3-CARBOXYLATE, ethyl 2-[(2,4-dichlorophenyl)carbonylamino]-4,5,6,7,8-pentahydrocyclohepta[2,1 -b]thiophene-3-carboxylate
| Molecular Formula | C19H19Cl2NO3S |
|---|---|
| Molecular Weight | 411.05 g/mol |
| LogP | 5.7528 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 411.04626 |
| Heavy Atoms | 26 |
| Complexity | 847.55005 |
Chemical Identifiers
| CAS Number | 314055-75-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3=C(C=C(C=C3)Cl)Cl |
Product Overview
BAS 00541778 (CAS 314055-75-9), with molecular formula C19H19Cl2NO3S and molecular weight 411.05 g/mol. IUPAC: ethyl 2-[(2,4-dichlorobenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate.
Chemical Property Profile of BAS 00541778
Property Insights of BAS 00541778
The XLogP value of 5.7528 indicates that BAS 00541778 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, BAS 00541778 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00541778 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 BAS 00541778?
The CAS number of BAS 00541778 is 314055-75-9.
What is the molecular formula of BAS 00541778?
The molecular formula of BAS 00541778 is C19H19Cl2NO3S.
What is the molecular weight of BAS 00541778?
The molecular weight of BAS 00541778 is 411.05 g/mol.
Where can I buy BAS 00541778?
You can request a quote for BAS 00541778 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00541778?
Yes, KEHONG BIO provides custom synthesis services for BAS 00541778 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.