BAS 00415006
TL;DR: BAS 00415006 (CAS 313483-57-7) is a chemical compound with molecular formula C19H20N2O6S and molecular weight 404.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(4-methoxy-3-nitrobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: BAS 00415006, BIM-0016737.P001, ethyl 2-[(4-methoxy-3-nitrobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-(4-methoxy-3-nitrobenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ethyl 2-({3-nitro-4-methoxybenzoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C19H20N2O6S |
|---|---|
| Molecular Weight | 404.10 g/mol |
| LogP | 3.9727 |
| Topological Polar Surface Area | 107.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 404.10422 |
| Heavy Atoms | 28 |
| Complexity | 936.74536 |
Chemical Identifiers
| CAS Number | 313483-57-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-] |
Product Overview
BAS 00415006 (CAS 313483-57-7), with molecular formula C19H20N2O6S and molecular weight 404.10 g/mol. IUPAC: ethyl 2-[(4-methoxy-3-nitrobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of BAS 00415006
Property Insights of BAS 00415006
The XLogP value of 3.9727 indicates that BAS 00415006 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.77 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00415006. Following Lipinski's Rule of Five, BAS 00415006 has 1 hydrogen bond donor(s) and 7 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 00415006?
The CAS number of BAS 00415006 is 313483-57-7.
What is the molecular formula of BAS 00415006?
The molecular formula of BAS 00415006 is C19H20N2O6S.
What is the molecular weight of BAS 00415006?
The molecular weight of BAS 00415006 is 404.10 g/mol.
Where can I buy BAS 00415006?
You can request a quote for BAS 00415006 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00415006?
Yes, KEHONG BIO provides custom synthesis services for BAS 00415006 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.