BAS 06104545
TL;DR: BAS 06104545 (CAS 312940-76-4) is a chemical compound with molecular formula C16H15NO4S and molecular weight 317.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-methoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid
Also Known As: BAS 06104545, AE-848/34328030, 2-[(2-methoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid, 2-(2-methoxybenzamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid, 2-{[(2-methoxyphenyl)carbonyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid
| Molecular Formula | C16H15NO4S |
|---|---|
| Molecular Weight | 317.07 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 317.07217 |
| Heavy Atoms | 22 |
| Complexity | 444.0 |
Chemical Identifiers
| CAS Number | 312940-76-4 |
|---|---|
| SMILES | COC1=CC=CC=C1C(=O)NC2=C(C3=C(S2)CCC3)C(=O)O |
| InChIKey | NYTZHEZIHNKDQZ-UHFFFAOYSA-N |
Product Overview
BAS 06104545 (CAS 312940-76-4), with molecular formula C16H15NO4S and molecular weight 317.07 g/mol. IUPAC: 2-[(2-methoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid.
Chemical Property Profile of BAS 06104545
Property Insights of BAS 06104545
The XLogP value of 3.5 indicates that BAS 06104545 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 06104545. Following Lipinski's Rule of Five, BAS 06104545 has 2 hydrogen bond donor(s) and 5 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 06104545?
The CAS number of BAS 06104545 is 312940-76-4.
What is the molecular formula of BAS 06104545?
The molecular formula of BAS 06104545 is C16H15NO4S.
What is the molecular weight of BAS 06104545?
The molecular weight of BAS 06104545 is 317.07 g/mol.
Where can I buy BAS 06104545?
You can request a quote for BAS 06104545 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 06104545?
Yes, KEHONG BIO provides custom synthesis services for BAS 06104545 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.