BAS 00600314
TL;DR: BAS 00600314 (CAS 331819-60-4) is a chemical compound with molecular formula C19H20N2O5S and molecular weight 388.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(4-nitrobenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Also Known As: BAS 00600314, BIM-0006624.P001, ETHYL 2-(4-NITROBENZAMIDO)-4H,5H,6H,7H,8H-CYCLOHEPTA[B]THIOPHENE-3-CARBOXYLATE, ethyl 2-{[(4-nitrophenyl)carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, F0817-0337
| Molecular Formula | C19H20N2O5S |
|---|---|
| Molecular Weight | 388.11 g/mol |
| LogP | 4.3542 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 388.10928 |
| Heavy Atoms | 27 |
| Complexity | 872.97034 |
Chemical Identifiers
| CAS Number | 331819-60-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
BAS 00600314 (CAS 331819-60-4), with molecular formula C19H20N2O5S and molecular weight 388.11 g/mol. IUPAC: ethyl 2-[(4-nitrobenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate.
Chemical Property Profile of BAS 00600314
Property Insights of BAS 00600314
The XLogP value of 4.3542 indicates that BAS 00600314 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.54 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00600314. Following Lipinski's Rule of Five, BAS 00600314 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00600314?
The CAS number of BAS 00600314 is 331819-60-4.
What is the molecular formula of BAS 00600314?
The molecular formula of BAS 00600314 is C19H20N2O5S.
What is the molecular weight of BAS 00600314?
The molecular weight of BAS 00600314 is 388.11 g/mol.
Where can I buy BAS 00600314?
You can request a quote for BAS 00600314 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00600314?
Yes, KEHONG BIO provides custom synthesis services for BAS 00600314 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.