BAS 01257014
TL;DR: BAS 01257014 (CAS 423728-72-7) is a chemical compound with molecular formula C18H14N6O4S and molecular weight 410.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-benzyl-2-methyl-5-nitroimidazol-4-yl)sulfanyl-6-nitro-1H-benzimidazole
Also Known As: BAS 01257014, 2-[[2-methyl-5-nitro-3-(phenylmethyl)-4-imidazolyl]thio]-6-nitro-1H-benzimidazole, 2-(3-benzyl-2-methyl-5-nitroimidazol-4-yl)sulfanyl-6-nitro-1H-benzimidazole, 2-[[2-Methyl-4-nitro-1-(phenylmethyl)-1H-imidazol-5-yl]thio]-6-nitro-1H-benzimidazole, 2-[2-methyl-4-nitro-1-benzylimidazol-5-ylthio]-6-nitrobenzimidazole
| Molecular Formula | C18H14N6O4S |
|---|---|
| Molecular Weight | 410.08 g/mol |
| LogP | 4.08372 |
| Topological Polar Surface Area | 132.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 410.0797 |
| Heavy Atoms | 29 |
| Complexity | 1234.1189 |
Chemical Identifiers
| CAS Number | 423728-72-7 |
|---|---|
| SMILES | CC1=NC(=C(N1CC2=CC=CC=C2)SC3=NC4=C(N3)C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
BAS 01257014 (CAS 423728-72-7), with molecular formula C18H14N6O4S and molecular weight 410.08 g/mol. IUPAC: 2-(3-benzyl-2-methyl-5-nitroimidazol-4-yl)sulfanyl-6-nitro-1H-benzimidazole.
Chemical Property Profile of BAS 01257014
Property Insights of BAS 01257014
The XLogP value of 4.08372 indicates that BAS 01257014 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.78 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01257014. Following Lipinski's Rule of Five, BAS 01257014 has 1 hydrogen bond donor(s) and 7 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 01257014?
The CAS number of BAS 01257014 is 423728-72-7.
What is the molecular formula of BAS 01257014?
The molecular formula of BAS 01257014 is C18H14N6O4S.
What is the molecular weight of BAS 01257014?
The molecular weight of BAS 01257014 is 410.08 g/mol.
Where can I buy BAS 01257014?
You can request a quote for BAS 01257014 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01257014?
Yes, KEHONG BIO provides custom synthesis services for BAS 01257014 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.