BAS 00486637
TL;DR: BAS 00486637 (CAS 189067-62-7) is a chemical compound with molecular formula C15H15NO3S2 and molecular weight 321.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(thiophene-2-carbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Also Known As: BAS 00486637, NCI60_032402, Ethyl 2-[(2-thienylcarbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, AE-848/34090069, ethyl 2-(thiophene-2-carbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
| Molecular Formula | C15H15NO3S2 |
|---|---|
| Molecular Weight | 321.05 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 321.04935 |
| Heavy Atoms | 21 |
| Complexity | 418.0 |
Chemical Identifiers
| CAS Number | 189067-62-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)C3=CC=CS3 |
| InChIKey | AVLHWHZPFYAHTA-UHFFFAOYSA-N |
Product Overview
BAS 00486637 (CAS 189067-62-7), with molecular formula C15H15NO3S2 and molecular weight 321.05 g/mol. IUPAC: ethyl 2-(thiophene-2-carbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
Chemical Property Profile of BAS 00486637
Property Insights of BAS 00486637
The XLogP value of 4.2 indicates that BAS 00486637 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00486637. Following Lipinski's Rule of Five, BAS 00486637 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 00486637?
The CAS number of BAS 00486637 is 189067-62-7.
What is the molecular formula of BAS 00486637?
The molecular formula of BAS 00486637 is C15H15NO3S2.
What is the molecular weight of BAS 00486637?
The molecular weight of BAS 00486637 is 321.05 g/mol.
Where can I buy BAS 00486637?
You can request a quote for BAS 00486637 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00486637?
Yes, KEHONG BIO provides custom synthesis services for BAS 00486637 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.