RefChem:296869
TL;DR: RefChem:296869 (CAS 54028-92-1) is a chemical compound with molecular formula C18H18N4O and molecular weight 306.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-methoxyphenyl)-4-methyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine
Also Known As: 5,6-Dihydro-1-(2-methoxyphenyl)-4-methyl-4H-(1,2,4)triazolo(4,3-a)(1,5)benzodiazepine, 4H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepine, 5,6-dihydro-1-(2-methoxyphenyl)-4-methyl-, 1-(2-methoxyphenyl)-4-methyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine, BRN 1226231, RefChem:296869
| Molecular Formula | C18H18N4O |
|---|---|
| Molecular Weight | 306.15 g/mol |
| LogP | 3.4719 |
| Topological Polar Surface Area | 51.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 306.14807 |
| Heavy Atoms | 23 |
| Complexity | 855.73285 |
Chemical Identifiers
| CAS Number | 54028-92-1 |
|---|---|
| SMILES | CC1CNC2=CC=CC=C2N3C1=NN=C3C4=CC=CC=C4OC |
Product Overview
RefChem:296869 (CAS 54028-92-1), with molecular formula C18H18N4O and molecular weight 306.15 g/mol. IUPAC: 1-(2-methoxyphenyl)-4-methyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine.
Chemical Property Profile of RefChem:296869
Property Insights of RefChem:296869
The XLogP value of 3.4719 indicates that RefChem:296869 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.97 Ų, RefChem:296869 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:296869 has 1 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 RefChem:296869?
The CAS number of RefChem:296869 is 54028-92-1.
What is the molecular formula of RefChem:296869?
The molecular formula of RefChem:296869 is C18H18N4O.
What is the molecular weight of RefChem:296869?
The molecular weight of RefChem:296869 is 306.15 g/mol.
Where can I buy RefChem:296869?
You can request a quote for RefChem:296869 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:296869?
Yes, KEHONG BIO provides custom synthesis services for RefChem:296869 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.