BAS 00679339
TL;DR: BAS 00679339 (CAS 312917-74-1) is a chemical compound with molecular formula C18H19NO3S and molecular weight 329.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(3-methylbenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Also Known As: BAS 00679339, AB00666799-01, AE-848/37018298, ethyl 2-[(3-methylbenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, ethyl 2-(3-methylbenzamido)-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate
| Molecular Formula | C18H19NO3S |
|---|---|
| Molecular Weight | 329.11 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 83.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 329.10855 |
| Heavy Atoms | 23 |
| Complexity | 456.0 |
Chemical Identifiers
| CAS Number | 312917-74-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)C3=CC=CC(=C3)C |
| InChIKey | ADAWOTHFPWFWML-UHFFFAOYSA-N |
Product Overview
BAS 00679339 (CAS 312917-74-1), with molecular formula C18H19NO3S and molecular weight 329.11 g/mol. IUPAC: ethyl 2-[(3-methylbenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
Chemical Property Profile of BAS 00679339
Property Insights of BAS 00679339
The XLogP value of 4.6 indicates that BAS 00679339 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 00679339. Following Lipinski's Rule of Five, BAS 00679339 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 00679339?
The CAS number of BAS 00679339 is 312917-74-1.
What is the molecular formula of BAS 00679339?
The molecular formula of BAS 00679339 is C18H19NO3S.
What is the molecular weight of BAS 00679339?
The molecular weight of BAS 00679339 is 329.11 g/mol.
Where can I buy BAS 00679339?
You can request a quote for BAS 00679339 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00679339?
Yes, KEHONG BIO provides custom synthesis services for BAS 00679339 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.