AB01308312-01
TL;DR: AB01308312-01 (CAS 843633-03-4) is a chemical compound with molecular formula C21H27ClN6O3 and molecular weight 446.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-(3-morpholin-4-ylpropylamino)purine-2,6-dione
Also Known As: AB01308312-01, 7-(2-chlorobenzyl)-1,3-dimethyl-8-{[3-(morpholin-4-yl)propyl]amino}-3,7-dihydro-1H-purine-2,6-dione, 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-(3-morpholin-4-ylpropylamino)purine-2,6-dione, 7-(2-chlorobenzyl)-1,3-dimethyl-8-((3-morpholinopropyl)amino)-1H-purine-2,6(3H,7H)-dione, 7-(2-chlorobenzyl)-1,3-dimethyl-8-[(3-morpholin-4-ylpropyl)amino]-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C21H27ClN6O3 |
|---|---|
| Molecular Weight | 446.18 g/mol |
| LogP | 1.2696 |
| Topological Polar Surface Area | 86.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 446.18332 |
| Heavy Atoms | 31 |
| Complexity | 1192.2688 |
Chemical Identifiers
| CAS Number | 843633-03-4 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCCN3CCOCC3)CC4=CC=CC=C4Cl |
Product Overview
AB01308312-01 (CAS 843633-03-4), with molecular formula C21H27ClN6O3 and molecular weight 446.18 g/mol. IUPAC: 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-(3-morpholin-4-ylpropylamino)purine-2,6-dione.
Chemical Property Profile of AB01308312-01
Property Insights of AB01308312-01
The XLogP value of 1.2696 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB01308312-01. The TPSA of 86.32 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01308312-01. Following Lipinski's Rule of Five, AB01308312-01 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 AB01308312-01?
The CAS number of AB01308312-01 is 843633-03-4.
What is the molecular formula of AB01308312-01?
The molecular formula of AB01308312-01 is C21H27ClN6O3.
What is the molecular weight of AB01308312-01?
The molecular weight of AB01308312-01 is 446.18 g/mol.
Where can I buy AB01308312-01?
You can request a quote for AB01308312-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01308312-01?
Yes, KEHONG BIO provides custom synthesis services for AB01308312-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.