AB01299038-01
TL;DR: AB01299038-01 (CAS 587005-56-9) is a chemical compound with molecular formula C19H24ClN5O2 and molecular weight 389.16 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-(3-methylbutylamino)purine-2,6-dione
Also Known As: AB01299038-01, 7-(3-chlorobenzyl)-1,3-dimethyl-8-[(3-methylbutyl)amino]-3,7-dihydro-1H-purine-2,6-dione, 7-(3-chlorobenzyl)-8-(isopentylamino)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, 7-[(3-chlorophenyl)methyl]-1,3-dimethyl-8-(3-methylbutylamino)purine-2,6-dione
| Molecular Formula | C19H24ClN5O2 |
|---|---|
| Molecular Weight | 389.16 g/mol |
| LogP | 2.5934 |
| Topological Polar Surface Area | 73.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 389.16187 |
| Heavy Atoms | 27 |
| Complexity | 1093.8987 |
Chemical Identifiers
| CAS Number | 587005-56-9 |
|---|---|
| SMILES | CC(C)CCNC1=NC2=C(N1CC3=CC(=CC=C3)Cl)C(=O)N(C(=O)N2C)C |
Product Overview
AB01299038-01 (CAS 587005-56-9), with molecular formula C19H24ClN5O2 and molecular weight 389.16 g/mol. IUPAC: 7-[(3-chlorophenyl)methyl]-1,3-dimethyl-8-(3-methylbutylamino)purine-2,6-dione.
Chemical Property Profile of AB01299038-01
Property Insights of AB01299038-01
The XLogP value of 2.5934 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB01299038-01. The TPSA of 73.85 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01299038-01. Following Lipinski's Rule of Five, AB01299038-01 has 1 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 AB01299038-01?
The CAS number of AB01299038-01 is 587005-56-9.
What is the molecular formula of AB01299038-01?
The molecular formula of AB01299038-01 is C19H24ClN5O2.
What is the molecular weight of AB01299038-01?
The molecular weight of AB01299038-01 is 389.16 g/mol.
Where can I buy AB01299038-01?
You can request a quote for AB01299038-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01299038-01?
Yes, KEHONG BIO provides custom synthesis services for AB01299038-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.