BAS 02107403
TL;DR: BAS 02107403 (CAS 503592-05-0) is a chemical compound with molecular formula C23H18ClN5O4S and molecular weight 495.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-chloro-2-methoxyphenyl)-2-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: BAS 02107403, N-(5-chloro-2-methoxyphenyl)-2-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(5-chloro-2-methoxyphenyl)-2-{[5-(4-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
| Molecular Formula | C23H18ClN5O4S |
|---|---|
| Molecular Weight | 495.08 g/mol |
| LogP | 5.2353 |
| Topological Polar Surface Area | 112.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 495.0768 |
| Heavy Atoms | 34 |
| Complexity | 1329.2073 |
Chemical Identifiers
| CAS Number | 503592-05-0 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)Cl)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
BAS 02107403 (CAS 503592-05-0), with molecular formula C23H18ClN5O4S and molecular weight 495.08 g/mol. IUPAC: N-(5-chloro-2-methoxyphenyl)-2-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of BAS 02107403
Property Insights of BAS 02107403
The XLogP value of 5.2353 indicates that BAS 02107403 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.18 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02107403. Following Lipinski's Rule of Five, BAS 02107403 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 02107403?
The CAS number of BAS 02107403 is 503592-05-0.
What is the molecular formula of BAS 02107403?
The molecular formula of BAS 02107403 is C23H18ClN5O4S.
What is the molecular weight of BAS 02107403?
The molecular weight of BAS 02107403 is 495.08 g/mol.
Where can I buy BAS 02107403?
You can request a quote for BAS 02107403 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02107403?
Yes, KEHONG BIO provides custom synthesis services for BAS 02107403 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.