BAS 01842574
TL;DR: BAS 01842574 (CAS 332912-29-5) is a chemical compound with molecular formula C19H17ClN4O4S and molecular weight 432.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-[[5-[(3-chloroanilino)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: BAS 01842574, Methyl 2-(2-((5-(((3-chlorophenyl)amino)methyl)-1,3,4-oxadiazol-2-yl)thio)acetamido)benzoate, 2-(2-{5-[(3-Chloro-phenylamino)-methyl]-[1,3,4]oxadiazol-2-ylsulfanyl}-acetylamino)-benzoic acid methyl ester, methyl 2-[[2-[[5-[(3-chloroanilino)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzoate, methyl 2-[2-(5-{[(3-chlorophenyl)amino]methyl}-1,3,4-oxadiazol-2-ylthio)acetyl amino]benzoate
| Molecular Formula | C19H17ClN4O4S |
|---|---|
| Molecular Weight | 432.07 g/mol |
| LogP | 3.8525 |
| Topological Polar Surface Area | 106.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 432.06592 |
| Heavy Atoms | 29 |
| Complexity | 1011.13403 |
Chemical Identifiers
| CAS Number | 332912-29-5 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NC(=O)CSC2=NN=C(O2)CNC3=CC(=CC=C3)Cl |
Product Overview
BAS 01842574 (CAS 332912-29-5), with molecular formula C19H17ClN4O4S and molecular weight 432.07 g/mol. IUPAC: methyl 2-[[2-[[5-[(3-chloroanilino)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of BAS 01842574
Property Insights of BAS 01842574
The XLogP value of 3.8525 indicates that BAS 01842574 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.35 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01842574. Following Lipinski's Rule of Five, BAS 01842574 has 2 hydrogen bond donor(s) and 8 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 01842574?
The CAS number of BAS 01842574 is 332912-29-5.
What is the molecular formula of BAS 01842574?
The molecular formula of BAS 01842574 is C19H17ClN4O4S.
What is the molecular weight of BAS 01842574?
The molecular weight of BAS 01842574 is 432.07 g/mol.
Where can I buy BAS 01842574?
You can request a quote for BAS 01842574 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01842574?
Yes, KEHONG BIO provides custom synthesis services for BAS 01842574 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.