A3940/0167761
TL;DR: A3940/0167761 (CAS 956729-50-3) is a chemical compound with molecular formula C16H14N6O6 and molecular weight 386.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[[3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carbonyl]amino]methyl]benzoate
Also Known As: A3940/0167761, methyl 4-((3-((4-nitro-1H-pyrazol-1-yl)methyl)-1,2,4-oxadiazole-5-carboxamido)methyl)benzoate, METHYL 4-[({3-[(4-NITRO-1H-PYRAZOL-1-YL)METHYL]-1,2,4-OXADIAZOL-5-YL}FORMAMIDO)METHYL]BENZOATE, methyl 4-[[[3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carbonyl]amino]methyl]benzoate, methyl 4-{[({3-[(4-nitro-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazol-5-yl}carbonyl)amino]methyl}benzoate
| Molecular Formula | C16H14N6O6 |
|---|---|
| Molecular Weight | 386.10 g/mol |
| LogP | 0.9392 |
| Topological Polar Surface Area | 155.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 386.09747 |
| Heavy Atoms | 28 |
| Complexity | 1008.81854 |
Chemical Identifiers
| CAS Number | 956729-50-3 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)CNC(=O)C2=NC(=NO2)CN3C=C(C=N3)[N+](=O)[O-] |
Product Overview
A3940/0167761 (CAS 956729-50-3), with molecular formula C16H14N6O6 and molecular weight 386.10 g/mol. IUPAC: methyl 4-[[[3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carbonyl]amino]methyl]benzoate.
Chemical Property Profile of A3940/0167761
Property Insights of A3940/0167761
The XLogP value of 0.9392 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3940/0167761. The TPSA of 155.28 Ų indicates high polarity, suggesting A3940/0167761 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, A3940/0167761 has 1 hydrogen bond donor(s) and 9 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 A3940/0167761?
The CAS number of A3940/0167761 is 956729-50-3.
What is the molecular formula of A3940/0167761?
The molecular formula of A3940/0167761 is C16H14N6O6.
What is the molecular weight of A3940/0167761?
The molecular weight of A3940/0167761 is 386.10 g/mol.
Where can I buy A3940/0167761?
You can request a quote for A3940/0167761 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3940/0167761?
Yes, KEHONG BIO provides custom synthesis services for A3940/0167761 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.