BAS 00675454
TL;DR: BAS 00675454 (CAS 304666-20-4) is a chemical compound with molecular formula C17H17NO3S and molecular weight 315.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(4-methylbenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Also Known As: BAS 00675454, methyl 2-[(4-methylbenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, METHYL 2-(4-METHYLBENZAMIDO)-4H,5H,6H-CYCLOPENTA[B]THIOPHENE-3-CARBOXYLATE, methyl 2-[(4-methylphenyl)carbonylamino]-4,5,6-trihydrocyclopenta[2,1-b]thioph ene-3-carboxylate, methyl 2-{[(4-methylphenyl)carbonyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
| Molecular Formula | C17H17NO3S |
|---|---|
| Molecular Weight | 315.09 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 83.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 315.09293 |
| Heavy Atoms | 22 |
| Complexity | 434.0 |
Chemical Identifiers
| CAS Number | 304666-20-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)CCC3)C(=O)OC |
| InChIKey | PZJBMLYFCSPTSA-UHFFFAOYSA-N |
Product Overview
BAS 00675454 (CAS 304666-20-4), with molecular formula C17H17NO3S and molecular weight 315.09 g/mol. IUPAC: methyl 2-[(4-methylbenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
Chemical Property Profile of BAS 00675454
Property Insights of BAS 00675454
The XLogP value of 4.2 indicates that BAS 00675454 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.6 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00675454. Following Lipinski's Rule of Five, BAS 00675454 has 1 hydrogen bond donor(s) and 4 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 00675454?
The CAS number of BAS 00675454 is 304666-20-4.
What is the molecular formula of BAS 00675454?
The molecular formula of BAS 00675454 is C17H17NO3S.
What is the molecular weight of BAS 00675454?
The molecular weight of BAS 00675454 is 315.09 g/mol.
Where can I buy BAS 00675454?
You can request a quote for BAS 00675454 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00675454?
Yes, KEHONG BIO provides custom synthesis services for BAS 00675454 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.