BAS 05423499
TL;DR: BAS 05423499 (CAS 1212173-58-4) 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.
2-[(5-benzyl-3-carbamoyl-4-methylthiophen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
Also Known As: BAS 05423499, 2-[(5-benzyl-3-carbamoyl-4-methylthiophen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid, VU0510713-1, 2-((5-benzyl-3-carbamoyl-4-methylthiophen-2-yl)carbamoyl)cyclohexanecarboxylic acid, 2-((5-benzyl-3-carbamoyl-4-methylthiophen-2-yl)carbamoyl)cyclohexane-1-carboxylic acid
| Molecular Formula | C21H24N2O4S |
|---|---|
| Molecular Weight | 400.15 g/mol |
| LogP | 3.57572 |
| Topological Polar Surface Area | 109.49 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 400.1457 |
| Heavy Atoms | 28 |
| Complexity | 891.3106 |
Chemical Identifiers
| CAS Number | 1212173-58-4 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)N)NC(=O)C2CCCCC2C(=O)O)CC3=CC=CC=C3 |
Product Overview
BAS 05423499 (CAS 1212173-58-4), with molecular formula C21H24N2O4S and molecular weight 400.15 g/mol. IUPAC: 2-[(5-benzyl-3-carbamoyl-4-methylthiophen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid.
Chemical Property Profile of BAS 05423499
Property Insights of BAS 05423499
The XLogP value of 3.57572 indicates that BAS 05423499 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.49 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 05423499. Following Lipinski's Rule of Five, BAS 05423499 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 05423499?
The CAS number of BAS 05423499 is 1212173-58-4.
What is the molecular formula of BAS 05423499?
The molecular formula of BAS 05423499 is C21H24N2O4S.
What is the molecular weight of BAS 05423499?
The molecular weight of BAS 05423499 is 400.15 g/mol.
Where can I buy BAS 05423499?
You can request a quote for BAS 05423499 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05423499?
Yes, KEHONG BIO provides custom synthesis services for BAS 05423499 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.