ASN 13765400
TL;DR: ASN 13765400 (CAS 887696-52-8) is a chemical compound with molecular formula C19H20ClN5O3 and molecular weight 401.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(E)-but-2-enyl]-6-(3-chloro-4-methoxyphenyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
Also Known As: ASN 13765400, 2-[(E)-but-2-enyl]-6-(3-chloro-4-methoxyphenyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione, 3-((2E)but-2-enyl)-8-(3-chloro-4-methoxyphenyl)-1-methyl-1,3,5-trihydroimidazo lidino[1,2-h]purine-2,4-dione, 3-[(2E)-but-2-en-1-yl]-8-(3-chloro-4-methoxyphenyl)-1-methyl-1H,2H,3H,4H,6H,7H,8H-imidazo[1,2-g]purine-2,4-dione
| Molecular Formula | C19H20ClN5O3 |
|---|---|
| Molecular Weight | 401.13 g/mol |
| LogP | 2.2865 |
| Topological Polar Surface Area | 74.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 401.12546 |
| Heavy Atoms | 28 |
| Complexity | 1221.0028 |
Chemical Identifiers
| CAS Number | 887696-52-8 |
|---|---|
| SMILES | C/C=C/CN1C(=O)C2=C(N=C3N2CCN3C4=CC(=C(C=C4)OC)Cl)N(C1=O)C |
Product Overview
ASN 13765400 (CAS 887696-52-8), with molecular formula C19H20ClN5O3 and molecular weight 401.13 g/mol. IUPAC: 2-[(E)-but-2-enyl]-6-(3-chloro-4-methoxyphenyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione.
Chemical Property Profile of ASN 13765400
Property Insights of ASN 13765400
The XLogP value of 2.2865 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ASN 13765400. The TPSA of 74.29 Ų falls within the moderate polarity range, balancing permeability and solubility for ASN 13765400. Following Lipinski's Rule of Five, ASN 13765400 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 13765400?
The CAS number of ASN 13765400 is 887696-52-8.
What is the molecular formula of ASN 13765400?
The molecular formula of ASN 13765400 is C19H20ClN5O3.
What is the molecular weight of ASN 13765400?
The molecular weight of ASN 13765400 is 401.13 g/mol.
Where can I buy ASN 13765400?
You can request a quote for ASN 13765400 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ASN 13765400?
Yes, KEHONG BIO provides custom synthesis services for ASN 13765400 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.