RefChem:305834
TL;DR: RefChem:305834 (CAS 125008-48-2) is a chemical compound with molecular formula C16H22N4O3 and molecular weight 318.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methyl-3-(3,4,5-trimethoxyphenyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine
Also Known As: 5H-s-Triazolo(4,3-d)(1,4)diazepine, 6,7,8,9-tetrahydro-7-methyl-3-(3,4,5-trimethoxyphenyl)-, 6,7,8,9-Tetrahydro-7-methyl-3-(3,4,5-trimethoxyphenyl)-5H-s-triazolo(4,3-d)(1,4)diazepine, 7-Metylo-3-(3,4,5-trimetoksybenzoilo)-6,7,8,9-tetrahydro-5H-s-triazolo(4,3-d)(1,4)diazepiny, 7-methyl-3-(3,4,5-trimethoxyphenyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine, 7-Methyl-3-(3,4,5-trimethoxyphenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepine
| Molecular Formula | C16H22N4O3 |
|---|---|
| Molecular Weight | 318.17 g/mol |
| LogP | 1.4588 |
| Topological Polar Surface Area | 61.64 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 318.1692 |
| Heavy Atoms | 23 |
| Complexity | 673.6241 |
Chemical Identifiers
| CAS Number | 125008-48-2 |
|---|---|
| SMILES | CN1CCC2=NN=C(N2CC1)C3=CC(=C(C(=C3)OC)OC)OC |
Product Overview
RefChem:305834 (CAS 125008-48-2), with molecular formula C16H22N4O3 and molecular weight 318.17 g/mol. IUPAC: 7-methyl-3-(3,4,5-trimethoxyphenyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine.
Chemical Property Profile of RefChem:305834
Property Insights of RefChem:305834
The XLogP value of 1.4588 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:305834. The TPSA of 61.64 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:305834. Following Lipinski's Rule of Five, RefChem:305834 has 0 hydrogen bond donor(s) and 6 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 RefChem:305834?
The CAS number of RefChem:305834 is 125008-48-2.
What is the molecular formula of RefChem:305834?
The molecular formula of RefChem:305834 is C16H22N4O3.
What is the molecular weight of RefChem:305834?
The molecular weight of RefChem:305834 is 318.17 g/mol.
Where can I buy RefChem:305834?
You can request a quote for RefChem:305834 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:305834?
Yes, KEHONG BIO provides custom synthesis services for RefChem:305834 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.