ASN 13030068
TL;DR: ASN 13030068 (CAS 878732-74-2) is a chemical compound with molecular formula C21H23N5O4 and molecular weight 409.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[6-(2,5-dimethylphenyl)-4,7,8-trimethyl-1,3-dioxopurino[7,8-a]imidazol-2-yl]acetate
Also Known As: ASN 13030068, VU0492571-1, F3124-0497, methyl 2-(8-(2,5-dimethylphenyl)-1,6,7-trimethyl-2,4-dioxo-1H-imidazo[2,1-f]purin-3(2H,4H,8H)-yl)acetate, methyl 2-[6-(2,5-dimethylphenyl)-4,7,8-trimethyl-1,3-dioxopurino[7,8-a]imidazol-2-yl]acetate
| Molecular Formula | C21H23N5O4 |
|---|---|
| Molecular Weight | 409.18 g/mol |
| LogP | 1.54528 |
| Topological Polar Surface Area | 92.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 409.17502 |
| Heavy Atoms | 30 |
| Complexity | 1465.3195 |
Chemical Identifiers
| CAS Number | 878732-74-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)N2C(=C(N3C2=NC4=C3C(=O)N(C(=O)N4C)CC(=O)OC)C)C |
Product Overview
ASN 13030068 (CAS 878732-74-2), with molecular formula C21H23N5O4 and molecular weight 409.18 g/mol. IUPAC: methyl 2-[6-(2,5-dimethylphenyl)-4,7,8-trimethyl-1,3-dioxopurino[7,8-a]imidazol-2-yl]acetate.
Chemical Property Profile of ASN 13030068
Property Insights of ASN 13030068
The XLogP value of 1.54528 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ASN 13030068. The TPSA of 92.53 Ų falls within the moderate polarity range, balancing permeability and solubility for ASN 13030068. Following Lipinski's Rule of Five, ASN 13030068 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 13030068?
The CAS number of ASN 13030068 is 878732-74-2.
What is the molecular formula of ASN 13030068?
The molecular formula of ASN 13030068 is C21H23N5O4.
What is the molecular weight of ASN 13030068?
The molecular weight of ASN 13030068 is 409.18 g/mol.
Where can I buy ASN 13030068?
You can request a quote for ASN 13030068 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ASN 13030068?
Yes, KEHONG BIO provides custom synthesis services for ASN 13030068 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.