BAS 12400963
TL;DR: BAS 12400963 (CAS 876890-65-2) is a chemical compound with molecular formula C22H29N5O4 and molecular weight 427.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[2-hydroxy-3-(3-methylphenoxy)propyl]-1,3-dimethyl-8-piperidin-1-ylpurine-2,6-dione
Also Known As: BAS 12400963, 7-[2-hydroxy-3-(3-methylphenoxy)propyl]-1,3-dimethyl-8-piperidin-1-ylpurine-2,6-dione, 7-[2-hydroxy-3-(3-methylphenoxy)propyl]-1,3-dimethyl-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione, 7-(2-hydroxy-3-(m-tolyloxy)propyl)-1,3-dimethyl-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C22H29N5O4 |
|---|---|
| Molecular Weight | 427.22 g/mol |
| LogP | 1.17232 |
| Topological Polar Surface Area | 94.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 427.22195 |
| Heavy Atoms | 31 |
| Complexity | 1203.0573 |
Chemical Identifiers
| CAS Number | 876890-65-2 |
|---|---|
| SMILES | CC1=CC(=CC=C1)OCC(CN2C3=C(N=C2N4CCCCC4)N(C(=O)N(C3=O)C)C)O |
Product Overview
BAS 12400963 (CAS 876890-65-2), with molecular formula C22H29N5O4 and molecular weight 427.22 g/mol. IUPAC: 7-[2-hydroxy-3-(3-methylphenoxy)propyl]-1,3-dimethyl-8-piperidin-1-ylpurine-2,6-dione.
Chemical Property Profile of BAS 12400963
Property Insights of BAS 12400963
The XLogP value of 1.17232 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 12400963. The TPSA of 94.52 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12400963. Following Lipinski's Rule of Five, BAS 12400963 has 1 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 12400963?
The CAS number of BAS 12400963 is 876890-65-2.
What is the molecular formula of BAS 12400963?
The molecular formula of BAS 12400963 is C22H29N5O4.
What is the molecular weight of BAS 12400963?
The molecular weight of BAS 12400963 is 427.22 g/mol.
Where can I buy BAS 12400963?
You can request a quote for BAS 12400963 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12400963?
Yes, KEHONG BIO provides custom synthesis services for BAS 12400963 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.