BAS 09867521
TL;DR: BAS 09867521 (CAS 876715-18-3) is a chemical compound with molecular formula C16H17N5O2 and molecular weight 311.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-[(3-methoxyphenyl)methylamino]-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one
Also Known As: BAS 09867521, BRD-K44768687-001-08-8, 2-[(3-methoxybenzyl)amino]-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one, 2-((3-methoxybenzyl)amino)-6,7-dihydro-4H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8(5H)-one, 2-(3-Methoxy-benzylamino)-4,5,6,7-tetrahydro-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one
| Molecular Formula | C16H17N5O2 |
|---|---|
| Molecular Weight | 311.14 g/mol |
| LogP | 1.527 |
| Topological Polar Surface Area | 84.31 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 311.1382 |
| Heavy Atoms | 23 |
| Complexity | 927.8556 |
Chemical Identifiers
| CAS Number | 876715-18-3 |
|---|---|
| SMILES | COC1=CC=CC(=C1)CNC2=NC3=NC4=C(CCC4)C(=O)N3N2 |
Product Overview
BAS 09867521 (CAS 876715-18-3), with molecular formula C16H17N5O2 and molecular weight 311.14 g/mol. IUPAC: 11-[(3-methoxyphenyl)methylamino]-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one.
Chemical Property Profile of BAS 09867521
Property Insights of BAS 09867521
The XLogP value of 1.527 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 09867521. The TPSA of 84.31 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 09867521. Following Lipinski's Rule of Five, BAS 09867521 has 2 hydrogen bond donor(s) and 5 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 09867521?
The CAS number of BAS 09867521 is 876715-18-3.
What is the molecular formula of BAS 09867521?
The molecular formula of BAS 09867521 is C16H17N5O2.
What is the molecular weight of BAS 09867521?
The molecular weight of BAS 09867521 is 311.14 g/mol.
Where can I buy BAS 09867521?
You can request a quote for BAS 09867521 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 09867521?
Yes, KEHONG BIO provides custom synthesis services for BAS 09867521 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.