ChemDiv1_021296
TL;DR: ChemDiv1_021296 (CAS 307325-26-4) is a chemical compound with molecular formula C14H20N6 and molecular weight 272.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
Also Known As: ChemDiv1_021296, AJ-292/37229031, 6,6',7,7',8,8',9,9'-octahydro-5H,5'H-3,3'-bi[1,2,4]triazolo[4,3-a]azepine, 3,3'-bis(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine), 3-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepine
| Molecular Formula | C14H20N6 |
|---|---|
| Molecular Weight | 272.17 g/mol |
| LogP | 1.9894 |
| Topological Polar Surface Area | 61.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 272.17496 |
| Heavy Atoms | 20 |
| Complexity | 556.9579 |
Chemical Identifiers
| CAS Number | 307325-26-4 |
|---|---|
| SMILES | C1CCC2=NN=C(N2CC1)C3=NN=C4N3CCCCC4 |
Product Overview
ChemDiv1_021296 (CAS 307325-26-4), with molecular formula C14H20N6 and molecular weight 272.17 g/mol. IUPAC: 3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine.
Chemical Property Profile of ChemDiv1_021296
Property Insights of ChemDiv1_021296
The XLogP value of 1.9894 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_021296. The TPSA of 61.42 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_021296. Following Lipinski's Rule of Five, ChemDiv1_021296 has 0 hydrogen bond donor(s) and 4 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_021296?
The CAS number of ChemDiv1_021296 is 307325-26-4.
What is the molecular formula of ChemDiv1_021296?
The molecular formula of ChemDiv1_021296 is C14H20N6.
What is the molecular weight of ChemDiv1_021296?
The molecular weight of ChemDiv1_021296 is 272.17 g/mol.
Where can I buy ChemDiv1_021296?
You can request a quote for ChemDiv1_021296 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_021296?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_021296 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.