ASN 12662984
TL;DR: ASN 12662984 (CAS 878719-45-0) is a chemical compound with molecular formula C21H22ClN5O4 and molecular weight 443.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(5-chloro-2-methoxyphenyl)-4,7,8-trimethyl-2-(3-oxobutan-2-yl)purino[7,8-a]imidazole-1,3-dione
Also Known As: ASN 12662984, UPCMLD0ENAT5815106:001, 8-(5-chloro-2-methoxyphenyl)-1,6,7-trimethyl-3-(1-methyl-2-oxopropyl)-1,3,5-tr ihydro-4-imidazolino[1,2-h]purine-2,4-dione, 6-(5-chloro-2-methoxyphenyl)-4,7,8-trimethyl-2-(3-oxobutan-2-yl)purino[7,8-a]imidazole-1,3-dione
| Molecular Formula | C21H22ClN5O4 |
|---|---|
| Molecular Weight | 443.14 g/mol |
| LogP | 2.56744 |
| Topological Polar Surface Area | 92.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 443.13602 |
| Heavy Atoms | 31 |
| Complexity | 1504.7443 |
Chemical Identifiers
| CAS Number | 878719-45-0 |
|---|---|
| SMILES | CC1=C(N2C3=C(N=C2N1C4=C(C=CC(=C4)Cl)OC)N(C(=O)N(C3=O)C(C)C(=O)C)C)C |
Product Overview
ASN 12662984 (CAS 878719-45-0), with molecular formula C21H22ClN5O4 and molecular weight 443.14 g/mol. IUPAC: 6-(5-chloro-2-methoxyphenyl)-4,7,8-trimethyl-2-(3-oxobutan-2-yl)purino[7,8-a]imidazole-1,3-dione.
Chemical Property Profile of ASN 12662984
Property Insights of ASN 12662984
The XLogP value of 2.56744 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ASN 12662984. The TPSA of 92.53 Ų falls within the moderate polarity range, balancing permeability and solubility for ASN 12662984. Following Lipinski's Rule of Five, ASN 12662984 has 0 hydrogen bond donor(s) and 5 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 12662984?
The CAS number of ASN 12662984 is 878719-45-0.
What is the molecular formula of ASN 12662984?
The molecular formula of ASN 12662984 is C21H22ClN5O4.
What is the molecular weight of ASN 12662984?
The molecular weight of ASN 12662984 is 443.14 g/mol.
Where can I buy ASN 12662984?
You can request a quote for ASN 12662984 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ASN 12662984?
Yes, KEHONG BIO provides custom synthesis services for ASN 12662984 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.