BAS 00486923
TL;DR: BAS 00486923 (CAS 306285-39-2) is a chemical compound with molecular formula C21H17N3O4S and molecular weight 407.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-nitrobenzoyl)amino]-N-phenyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
Also Known As: BAS 00486923, BIM-0025456.P001, A2172/0091201, 2-[(4-nitrobenzoyl)amino]-N-phenyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide, 2-(4-NITROBENZAMIDO)-N-PHENYL-4H,5H,6H-CYCLOPENTA[B]THIOPHENE-3-CARBOXAMIDE
| Molecular Formula | C21H17N3O4S |
|---|---|
| Molecular Weight | 407.09 g/mol |
| LogP | 4.6496 |
| Topological Polar Surface Area | 101.34 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 407.09396 |
| Heavy Atoms | 29 |
| Complexity | 1091.1189 |
Chemical Identifiers
| CAS Number | 306285-39-2 |
|---|---|
| SMILES | C1CC2=C(C1)SC(=C2C(=O)NC3=CC=CC=C3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
BAS 00486923 (CAS 306285-39-2), with molecular formula C21H17N3O4S and molecular weight 407.09 g/mol. IUPAC: 2-[(4-nitrobenzoyl)amino]-N-phenyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide.
Chemical Property Profile of BAS 00486923
Property Insights of BAS 00486923
The XLogP value of 4.6496 indicates that BAS 00486923 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.34 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00486923. Following Lipinski's Rule of Five, BAS 00486923 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 00486923?
The CAS number of BAS 00486923 is 306285-39-2.
What is the molecular formula of BAS 00486923?
The molecular formula of BAS 00486923 is C21H17N3O4S.
What is the molecular weight of BAS 00486923?
The molecular weight of BAS 00486923 is 407.09 g/mol.
Where can I buy BAS 00486923?
You can request a quote for BAS 00486923 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00486923?
Yes, KEHONG BIO provides custom synthesis services for BAS 00486923 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.