BAS 00024596
TL;DR: BAS 00024596 (CAS 299962-71-3) is a chemical compound with molecular formula C22H22N4O5S and molecular weight 454.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-methyl-5-nitroimidazol-1-yl)ethyl 2-benzamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: BAS 00024596, AH-262/34870012, 2-(2-methyl-5-nitroimidazol-1-yl)ethyl 2-benzamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl 2-(benzoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl 2-[(phenylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C22H22N4O5S |
|---|---|
| Molecular Weight | 454.13 g/mol |
| LogP | 4.14932 |
| Topological Polar Surface Area | 116.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 454.1311 |
| Heavy Atoms | 32 |
| Complexity | 1168.7021 |
Chemical Identifiers
| CAS Number | 299962-71-3 |
|---|---|
| SMILES | CC1=NC=C(N1CCOC(=O)C2=C(SC3=C2CCCC3)NC(=O)C4=CC=CC=C4)[N+](=O)[O-] |
Product Overview
BAS 00024596 (CAS 299962-71-3), with molecular formula C22H22N4O5S and molecular weight 454.13 g/mol. IUPAC: 2-(2-methyl-5-nitroimidazol-1-yl)ethyl 2-benzamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of BAS 00024596
Property Insights of BAS 00024596
The XLogP value of 4.14932 indicates that BAS 00024596 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.36 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00024596. Following Lipinski's Rule of Five, BAS 00024596 has 1 hydrogen bond donor(s) and 7 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 00024596?
The CAS number of BAS 00024596 is 299962-71-3.
What is the molecular formula of BAS 00024596?
The molecular formula of BAS 00024596 is C22H22N4O5S.
What is the molecular weight of BAS 00024596?
The molecular weight of BAS 00024596 is 454.13 g/mol.
Where can I buy BAS 00024596?
You can request a quote for BAS 00024596 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00024596?
Yes, KEHONG BIO provides custom synthesis services for BAS 00024596 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.