BAS 11174364
TL;DR: BAS 11174364 (CAS 851939-96-3) is a chemical compound with molecular formula C20H24ClN5O2 and molecular weight 401.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(3-chlorophenyl)methyl]-1,3-dimethyl-8-(piperidin-1-ylmethyl)purine-2,6-dione
Also Known As: BAS 11174364, 7-(3-chlorobenzyl)-1,3-dimethyl-8-(piperidin-1-ylmethyl)-3,7-dihydro-1H-purine-2,6-dione, 7-[(3-chlorophenyl)methyl]-1,3-dimethyl-8-(piperidin-1-ylmethyl)purine-2,6-dione, 7-(3-chlorobenzyl)-1,3-dimethyl-8-(piperidin-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione, 7-[(3-chlorophenyl)methyl]-1,3-dimethyl-8-(piperidylmethyl)-1,3,7-trihydropuri ne-2,6-dione
| Molecular Formula | C20H24ClN5O2 |
|---|---|
| Molecular Weight | 401.16 g/mol |
| LogP | 2.1213 |
| Topological Polar Surface Area | 65.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 401.16187 |
| Heavy Atoms | 28 |
| Complexity | 1137.9292 |
Chemical Identifiers
| CAS Number | 851939-96-3 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCCCC3)CC4=CC(=CC=C4)Cl |
Product Overview
BAS 11174364 (CAS 851939-96-3), with molecular formula C20H24ClN5O2 and molecular weight 401.16 g/mol. IUPAC: 7-[(3-chlorophenyl)methyl]-1,3-dimethyl-8-(piperidin-1-ylmethyl)purine-2,6-dione.
Chemical Property Profile of BAS 11174364
Property Insights of BAS 11174364
The XLogP value of 2.1213 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 11174364. The TPSA of 65.06 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 11174364. Following Lipinski's Rule of Five, BAS 11174364 has 0 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 BAS 11174364?
The CAS number of BAS 11174364 is 851939-96-3.
What is the molecular formula of BAS 11174364?
The molecular formula of BAS 11174364 is C20H24ClN5O2.
What is the molecular weight of BAS 11174364?
The molecular weight of BAS 11174364 is 401.16 g/mol.
Where can I buy BAS 11174364?
You can request a quote for BAS 11174364 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 11174364?
Yes, KEHONG BIO provides custom synthesis services for BAS 11174364 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.