A3993/0170136
TL;DR: A3993/0170136 (CAS 956764-40-2) is a chemical compound with molecular formula C15H12N8O4 and molecular weight 368.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1H-benzimidazol-2-ylmethyl)-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
Also Known As: A3993/0170136, N-(1H-benzimidazol-2-ylmethyl)-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide, N-(1H-benzimidazol-2-ylmethyl)-3-[(4-nitro-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
| Molecular Formula | C15H12N8O4 |
|---|---|
| Molecular Weight | 368.10 g/mol |
| LogP | 1.0289 |
| Topological Polar Surface Area | 157.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 368.09814 |
| Heavy Atoms | 27 |
| Complexity | 1094.7141 |
Chemical Identifiers
| CAS Number | 956764-40-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=N2)CNC(=O)C3=NC(=NO3)CN4C=C(C=N4)[N+](=O)[O-] |
Product Overview
A3993/0170136 (CAS 956764-40-2), with molecular formula C15H12N8O4 and molecular weight 368.10 g/mol. IUPAC: N-(1H-benzimidazol-2-ylmethyl)-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide.
Chemical Property Profile of A3993/0170136
Property Insights of A3993/0170136
The XLogP value of 1.0289 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3993/0170136. The TPSA of 157.66 Ų indicates high polarity, suggesting A3993/0170136 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, A3993/0170136 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 A3993/0170136?
The CAS number of A3993/0170136 is 956764-40-2.
What is the molecular formula of A3993/0170136?
The molecular formula of A3993/0170136 is C15H12N8O4.
What is the molecular weight of A3993/0170136?
The molecular weight of A3993/0170136 is 368.10 g/mol.
Where can I buy A3993/0170136?
You can request a quote for A3993/0170136 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3993/0170136?
Yes, KEHONG BIO provides custom synthesis services for A3993/0170136 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.