ChemDiv1_017664
TL;DR: ChemDiv1_017664 (CAS 312267-30-4) is a chemical compound with molecular formula C14H12N8O3S and molecular weight 372.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1H-benzimidazol-2-ylsulfanylmethyl)triazole-4-carboxylate
Also Known As: ChemDiv1_017664, ZERO/003015, Methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(1H-benzimidazol-2-ylthio)methyl]-1H-1,2,3-triazole-4-carboxylate, methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1H-benzimidazol-2-ylsulfanylmethyl)triazole-4-carboxylate, methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(1H-1,3-benzimidazol-2-ylsulfanyl)methyl]-1H-1,2,3-triazole-4-carboxylate
| Molecular Formula | C14H12N8O3S |
|---|---|
| Molecular Weight | 372.08 g/mol |
| LogP | 1.1877 |
| Topological Polar Surface Area | 150.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 372.07532 |
| Heavy Atoms | 26 |
| Complexity | 1051.9465 |
Chemical Identifiers
| CAS Number | 312267-30-4 |
|---|---|
| SMILES | COC(=O)C1=C(N(N=N1)C2=NON=C2N)CSC3=NC4=CC=CC=C4N3 |
Product Overview
ChemDiv1_017664 (CAS 312267-30-4), with molecular formula C14H12N8O3S and molecular weight 372.08 g/mol. IUPAC: methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1H-benzimidazol-2-ylsulfanylmethyl)triazole-4-carboxylate.
Chemical Property Profile of ChemDiv1_017664
Property Insights of ChemDiv1_017664
The XLogP value of 1.1877 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_017664. The TPSA of 150.63 Ų indicates high polarity, suggesting ChemDiv1_017664 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ChemDiv1_017664 has 2 hydrogen bond donor(s) and 10 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 ChemDiv1_017664?
The CAS number of ChemDiv1_017664 is 312267-30-4.
What is the molecular formula of ChemDiv1_017664?
The molecular formula of ChemDiv1_017664 is C14H12N8O3S.
What is the molecular weight of ChemDiv1_017664?
The molecular weight of ChemDiv1_017664 is 372.08 g/mol.
Where can I buy ChemDiv1_017664?
You can request a quote for ChemDiv1_017664 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_017664?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_017664 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.