BAS 09521212
TL;DR: BAS 09521212 (CAS 724446-32-6) is a chemical compound with molecular formula C18H16N2O3S and molecular weight 340.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl] 4-methylbenzoate
Also Known As: BAS 09521212, AP-906/42842480, 2-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thien-2-yl)amino]-2-oxoethyl 4-methylbenzoate, 4-Methyl-benzoic acid (3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylcarbamoyl)-methyl ester, [2-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl] 4-methylbenzoate
| Molecular Formula | C18H16N2O3S |
|---|---|
| Molecular Weight | 340.09 g/mol |
| LogP | 3.2124 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 340.08817 |
| Heavy Atoms | 24 |
| Complexity | 831.18414 |
Chemical Identifiers
| CAS Number | 724446-32-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)OCC(=O)NC2=C(C3=C(S2)CCC3)C#N |
Product Overview
BAS 09521212 (CAS 724446-32-6), with molecular formula C18H16N2O3S and molecular weight 340.09 g/mol. IUPAC: [2-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl] 4-methylbenzoate.
Chemical Property Profile of BAS 09521212
Property Insights of BAS 09521212
The XLogP value of 3.2124 indicates that BAS 09521212 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.19 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 09521212. Following Lipinski's Rule of Five, BAS 09521212 has 1 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 09521212?
The CAS number of BAS 09521212 is 724446-32-6.
What is the molecular formula of BAS 09521212?
The molecular formula of BAS 09521212 is C18H16N2O3S.
What is the molecular weight of BAS 09521212?
The molecular weight of BAS 09521212 is 340.09 g/mol.
Where can I buy BAS 09521212?
You can request a quote for BAS 09521212 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 09521212?
Yes, KEHONG BIO provides custom synthesis services for BAS 09521212 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.