ASN 13029803
TL;DR: ASN 13029803 (CAS 878729-35-2) is a chemical compound with molecular formula C22H24ClN5O3 and molecular weight 441.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(3-chloro-4-methylphenyl)-2-(3,3-dimethyl-2-oxobutyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione
Also Known As: ASN 13029803, UPCMLD0ENAT5871999:001, 8-(3-chloro-4-methylphenyl)-3-(3,3-dimethyl-2-oxobutyl)-1,7-dimethyl-1H,2H,3H,4H,8H-imidazo[1,2-g]purine-2,4-dione, 3-(3,3-dimethyl-2-oxobutyl)-8-(3-chloro-4-methylphenyl)-1,7-dimethyl-1,3,5-tri hydro-4-imidazolino[1,2-h]purine-2,4-dione, 6-(3-chloro-4-methylphenyl)-2-(3,3-dimethyl-2-oxobutyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione
| Molecular Formula | C22H24ClN5O3 |
|---|---|
| Molecular Weight | 441.16 g/mol |
| LogP | 3.02404 |
| Topological Polar Surface Area | 83.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 441.15677 |
| Heavy Atoms | 31 |
| Complexity | 1494.3656 |
Chemical Identifiers
| CAS Number | 878729-35-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2C(=CN3C2=NC4=C3C(=O)N(C(=O)N4C)CC(=O)C(C)(C)C)C)Cl |
Product Overview
ASN 13029803 (CAS 878729-35-2), with molecular formula C22H24ClN5O3 and molecular weight 441.16 g/mol. IUPAC: 6-(3-chloro-4-methylphenyl)-2-(3,3-dimethyl-2-oxobutyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione.
Chemical Property Profile of ASN 13029803
Property Insights of ASN 13029803
The XLogP value of 3.02404 indicates that ASN 13029803 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.3 Ų falls within the moderate polarity range, balancing permeability and solubility for ASN 13029803. Following Lipinski's Rule of Five, ASN 13029803 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 ASN 13029803?
The CAS number of ASN 13029803 is 878729-35-2.
What is the molecular formula of ASN 13029803?
The molecular formula of ASN 13029803 is C22H24ClN5O3.
What is the molecular weight of ASN 13029803?
The molecular weight of ASN 13029803 is 441.16 g/mol.
Where can I buy ASN 13029803?
You can request a quote for ASN 13029803 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ASN 13029803?
Yes, KEHONG BIO provides custom synthesis services for ASN 13029803 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.