![1,3-Dimethyl 2-[2-(2-amino-6-chloro-9H-purin-9-yl)ethyl]propanedioate structure](/static/products/172/172529-93-0.png)
1,3-Dimethyl 2-[2-(2-amino-6-chloro-9H-purin-9-yl)ethyl]propanedioate
TL;DR: 1,3-Dimethyl 2-[2-(2-amino-6-chloro-9H-purin-9-yl)ethyl]propanedioate (CAS 172529-93-0) is a chemical compound with molecular formula C12H14ClN5O4 and molecular weight 327.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[2-(2-amino-6-chloropurin-9-yl)ethyl]propanedioate
Also Known As: Famciclovir impurity 4, Famciclovir Impurity 40, Dimethyl 2-(2-(2-amino-6-chloro-9H-purin-9-yl)ethyl)malonate, AMY377, EC 605-637-3
| Molecular Formula | C12H14ClN5O4 |
|---|---|
| Molecular Weight | 327.07 g/mol |
| LogP | 0.4142 |
| Topological Polar Surface Area | 122.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 327.07343 |
| Heavy Atoms | 22 |
| Complexity | 700.8497 |
Chemical Identifiers
| CAS Number | 172529-93-0 |
|---|---|
| SMILES | COC(=O)C(CCN1C=NC2=C1N=C(N=C2Cl)N)C(=O)OC |
Product Overview
1,3-Dimethyl 2-[2-(2-amino-6-chloro-9H-purin-9-yl)ethyl]propanedioate (CAS 172529-93-0), with molecular formula C12H14ClN5O4 and molecular weight 327.07 g/mol. IUPAC: dimethyl 2-[2-(2-amino-6-chloropurin-9-yl)ethyl]propanedioate.
Chemical Property Profile of 1,3-Dimethyl 2-[2-(2-amino-6-chloro-9H-purin-9-yl)ethyl]propanedioate
Property Insights of 1,3-Dimethyl 2-[2-(2-amino-6-chloro-9H-purin-9-yl)ethyl]propanedioate
The XLogP value of 0.4142 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dimethyl 2-[2-(2-amino-6-chloro-9H-purin-9-yl)ethyl]propanedioate. The TPSA of 122.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dimethyl 2-[2-(2-amino-6-chloro-9H-purin-9-yl)ethyl]propanedioate. Following Lipinski's Rule of Five, 1,3-Dimethyl 2-[2-(2-amino-6-chloro-9H-purin-9-yl)ethyl]propanedioate has 1 hydrogen bond donor(s) and 8 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 1,3-Dimethyl 2-[2-(2-amino-6-chloro-9H-purin-9-yl)ethyl]propanedioate?
The CAS number of 1,3-Dimethyl 2-[2-(2-amino-6-chloro-9H-purin-9-yl)ethyl]propanedioate is 172529-93-0.
What is the molecular formula of 1,3-Dimethyl 2-[2-(2-amino-6-chloro-9H-purin-9-yl)ethyl]propanedioate?
The molecular formula of 1,3-Dimethyl 2-[2-(2-amino-6-chloro-9H-purin-9-yl)ethyl]propanedioate is C12H14ClN5O4.
What is the molecular weight of 1,3-Dimethyl 2-[2-(2-amino-6-chloro-9H-purin-9-yl)ethyl]propanedioate?
The molecular weight of 1,3-Dimethyl 2-[2-(2-amino-6-chloro-9H-purin-9-yl)ethyl]propanedioate is 327.07 g/mol.
Where can I buy 1,3-Dimethyl 2-[2-(2-amino-6-chloro-9H-purin-9-yl)ethyl]propanedioate?
You can request a quote for 1,3-Dimethyl 2-[2-(2-amino-6-chloro-9H-purin-9-yl)ethyl]propanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dimethyl 2-[2-(2-amino-6-chloro-9H-purin-9-yl)ethyl]propanedioate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dimethyl 2-[2-(2-amino-6-chloro-9H-purin-9-yl)ethyl]propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.