BAS 00535142
TL;DR: BAS 00535142 (CAS 312635-60-2) is a chemical compound with molecular formula C16H11BrN6O5S and molecular weight 477.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-(4-bromophenyl)sulfanyl-5-nitrophenyl]-2-(3-nitro-1,2,4-triazol-1-yl)acetamide
Also Known As: BAS 00535142, BIM-0027830.P001, N-[3-(4-bromophenyl)sulfanyl-5-nitrophenyl]-2-(3-nitro-1,2,4-triazol-1-yl)acetamide, N-{3-[(4-bromophenyl)sulfanyl]-5-nitrophenyl}-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide, N-(3-((4-bromophenyl)thio)-5-nitrophenyl)-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide
| Molecular Formula | C16H11BrN6O5S |
|---|---|
| Molecular Weight | 477.97 g/mol |
| LogP | 3.6469 |
| Topological Polar Surface Area | 146.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 477.9695 |
| Heavy Atoms | 29 |
| Complexity | 1087.6593 |
Chemical Identifiers
| CAS Number | 312635-60-2 |
|---|---|
| SMILES | C1=CC(=CC=C1SC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CN3C=NC(=N3)[N+](=O)[O-])Br |
Product Overview
BAS 00535142 (CAS 312635-60-2), with molecular formula C16H11BrN6O5S and molecular weight 477.97 g/mol. IUPAC: N-[3-(4-bromophenyl)sulfanyl-5-nitrophenyl]-2-(3-nitro-1,2,4-triazol-1-yl)acetamide.
Chemical Property Profile of BAS 00535142
Property Insights of BAS 00535142
The XLogP value of 3.6469 indicates that BAS 00535142 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 146.09 Ų indicates high polarity, suggesting BAS 00535142 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BAS 00535142 has 1 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 00535142?
The CAS number of BAS 00535142 is 312635-60-2.
What is the molecular formula of BAS 00535142?
The molecular formula of BAS 00535142 is C16H11BrN6O5S.
What is the molecular weight of BAS 00535142?
The molecular weight of BAS 00535142 is 477.97 g/mol.
Where can I buy BAS 00535142?
You can request a quote for BAS 00535142 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00535142?
Yes, KEHONG BIO provides custom synthesis services for BAS 00535142 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.