BAS 01426037
TL;DR: BAS 01426037 (CAS 292639-95-3) is a chemical compound with molecular formula C21H24N2O4S and molecular weight 400.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[3-[(2-methylphenyl)carbamoyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]amino]-4-oxobutanoic acid
Also Known As: BAS 01426037, 4-[[3-[(2-methylphenyl)carbamoyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]amino]-4-oxobutanoic acid, 4-oxo-4-{[3-(2-toluidinocarbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl]amino}butanoic acid, 3-({3-[(2-methylphenyl)carbamoyl]-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}carbamoyl)propanoic acid, 3-(N-{3-[N-(2-methylphenyl)carbamoyl]-4,5,6,7,8-pentahydrocyclohepta[2,1-d]thi ophen-2-yl}carbamoyl)propanoic acid
| Molecular Formula | C21H24N2O4S |
|---|---|
| Molecular Weight | 400.15 g/mol |
| LogP | 4.38102 |
| Topological Polar Surface Area | 95.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 400.1457 |
| Heavy Atoms | 28 |
| Complexity | 903.8057 |
Chemical Identifiers
| CAS Number | 292639-95-3 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=O)C2=C(SC3=C2CCCCC3)NC(=O)CCC(=O)O |
Product Overview
BAS 01426037 (CAS 292639-95-3), with molecular formula C21H24N2O4S and molecular weight 400.15 g/mol. IUPAC: 4-[[3-[(2-methylphenyl)carbamoyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]amino]-4-oxobutanoic acid.
Chemical Property Profile of BAS 01426037
Property Insights of BAS 01426037
The XLogP value of 4.38102 indicates that BAS 01426037 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.5 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01426037. Following Lipinski's Rule of Five, BAS 01426037 has 3 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 01426037?
The CAS number of BAS 01426037 is 292639-95-3.
What is the molecular formula of BAS 01426037?
The molecular formula of BAS 01426037 is C21H24N2O4S.
What is the molecular weight of BAS 01426037?
The molecular weight of BAS 01426037 is 400.15 g/mol.
Where can I buy BAS 01426037?
You can request a quote for BAS 01426037 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01426037?
Yes, KEHONG BIO provides custom synthesis services for BAS 01426037 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.