BAS 00781757
TL;DR: BAS 00781757 (CAS 314282-96-7) is a chemical compound with molecular formula C17H16N2O5S and molecular weight 360.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(2-nitrobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: BAS 00781757, A2188/0092014, methyl 2-({2-nitrobenzoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, Methyl 2-[(2-nitrobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, 2-(2-Nitro-benzoylamino)-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid
| Molecular Formula | C17H16N2O5S |
|---|---|
| Molecular Weight | 360.08 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 360.078 |
| Heavy Atoms | 25 |
| Complexity | 538.0 |
Chemical Identifiers
| CAS Number | 314282-96-7 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=CC=C3[N+](=O)[O-] |
| InChIKey | COTHJVVAZMHQTJ-UHFFFAOYSA-N |
Product Overview
BAS 00781757 (CAS 314282-96-7), with molecular formula C17H16N2O5S and molecular weight 360.08 g/mol. IUPAC: methyl 2-[(2-nitrobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of BAS 00781757
Property Insights of BAS 00781757
The XLogP value of 4.2 indicates that BAS 00781757 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00781757. Following Lipinski's Rule of Five, BAS 00781757 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 00781757?
The CAS number of BAS 00781757 is 314282-96-7.
What is the molecular formula of BAS 00781757?
The molecular formula of BAS 00781757 is C17H16N2O5S.
What is the molecular weight of BAS 00781757?
The molecular weight of BAS 00781757 is 360.08 g/mol.
Where can I buy BAS 00781757?
You can request a quote for BAS 00781757 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00781757?
Yes, KEHONG BIO provides custom synthesis services for BAS 00781757 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.