ChemDiv1_028216
TL;DR: ChemDiv1_028216 (CAS 325995-25-3) is a chemical compound with molecular formula C15H22N6 and molecular weight 286.19 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-ylmethyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
Also Known As: ChemDiv1_028216, MixCom6_000408, F0385-0703, VU0493890-1, 3-(6,7,8,9-Tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
| Molecular Formula | C15H22N6 |
|---|---|
| Molecular Weight | 286.19 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 61.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 286.19058 |
| Heavy Atoms | 21 |
| Complexity | 319.0 |
Chemical Identifiers
| CAS Number | 325995-25-3 |
|---|---|
| SMILES | C1CCC2=NN=C(N2CC1)CC3=NN=C4N3CCCCC4 |
| InChIKey | GFYQDSGSXGEWGM-UHFFFAOYSA-N |
Product Overview
ChemDiv1_028216 (CAS 325995-25-3), with molecular formula C15H22N6 and molecular weight 286.19 g/mol. IUPAC: 3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine.
Chemical Property Profile of ChemDiv1_028216
Property Insights of ChemDiv1_028216
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_028216. The TPSA of 61.4 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_028216. Following Lipinski's Rule of Five, ChemDiv1_028216 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_028216?
The CAS number of ChemDiv1_028216 is 325995-25-3.
What is the molecular formula of ChemDiv1_028216?
The molecular formula of ChemDiv1_028216 is C15H22N6.
What is the molecular weight of ChemDiv1_028216?
The molecular weight of ChemDiv1_028216 is 286.19 g/mol.
Where can I buy ChemDiv1_028216?
You can request a quote for ChemDiv1_028216 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_028216?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_028216 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.