BAS 09867421
TL;DR: BAS 09867421 (CAS 876714-57-7) is a chemical compound with molecular formula C22H23N5O3 and molecular weight 405.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-benzyl-2-[(3,4-dimethoxyphenyl)methylamino]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
Also Known As: BAS 09867421, 6-benzyl-2-[(3,4-dimethoxybenzyl)amino]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one, 6-benzyl-2-[(3,4-dimethoxybenzyl)amino]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol, 6-benzyl-2-((3,4-dimethoxybenzyl)amino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one, 6-benzyl-2-[(3,4-dimethoxyphenyl)methylamino]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
| Molecular Formula | C22H23N5O3 |
|---|---|
| Molecular Weight | 405.18 g/mol |
| LogP | 2.94612 |
| Topological Polar Surface Area | 93.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 405.18008 |
| Heavy Atoms | 30 |
| Complexity | 1230.9858 |
Chemical Identifiers
| CAS Number | 876714-57-7 |
|---|---|
| SMILES | CC1=C(C(=O)N2C(=N1)N=C(N2)NCC3=CC(=C(C=C3)OC)OC)CC4=CC=CC=C4 |
Product Overview
BAS 09867421 (CAS 876714-57-7), with molecular formula C22H23N5O3 and molecular weight 405.18 g/mol. IUPAC: 6-benzyl-2-[(3,4-dimethoxyphenyl)methylamino]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
Chemical Property Profile of BAS 09867421
Property Insights of BAS 09867421
The XLogP value of 2.94612 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 09867421. The TPSA of 93.54 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 09867421. Following Lipinski's Rule of Five, BAS 09867421 has 2 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 BAS 09867421?
The CAS number of BAS 09867421 is 876714-57-7.
What is the molecular formula of BAS 09867421?
The molecular formula of BAS 09867421 is C22H23N5O3.
What is the molecular weight of BAS 09867421?
The molecular weight of BAS 09867421 is 405.18 g/mol.
Where can I buy BAS 09867421?
You can request a quote for BAS 09867421 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 09867421?
Yes, KEHONG BIO provides custom synthesis services for BAS 09867421 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.