3,4-Dichlorobenzoic acid--3H-purin-6-amine (1/1)
TL;DR: 3,4-Dichlorobenzoic acid--3H-purin-6-amine (1/1) (CAS 66634-53-5) is a chemical compound with molecular formula C12H9Cl2N5O2 and molecular weight 325.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dichlorobenzoic acid;7H-purin-6-amine
Also Known As: alpha-(Dimethylaminomethyl)benzyl alcohol, N,N-Dimethyl-beta-hydroxyphenethylamine, 9H-Purin-6-amine 3,4-dichlorobenzoate, beta-Hydroxy-beta-phenylethyl dimethylamine, Phenethylamine, N,N-dimethyl-beta-hydroxy-
| Molecular Formula | C12H9Cl2N5O2 |
|---|---|
| Molecular Weight | 325.01 g/mol |
| LogP | 2.6267 |
| Topological Polar Surface Area | 117.78 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 325.01334 |
| Heavy Atoms | 21 |
| Complexity | 790.16876 |
Chemical Identifiers
| CAS Number | 66634-53-5 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=O)O)Cl)Cl.C1=NC2=NC=NC(=C2N1)N |
Product Overview
3,4-Dichlorobenzoic acid--3H-purin-6-amine (1/1) (CAS 66634-53-5), with molecular formula C12H9Cl2N5O2 and molecular weight 325.01 g/mol. IUPAC: 3,4-dichlorobenzoic acid;7H-purin-6-amine.
Chemical Property Profile of 3,4-Dichlorobenzoic acid--3H-purin-6-amine (1/1)
Property Insights of 3,4-Dichlorobenzoic acid--3H-purin-6-amine (1/1)
The XLogP value of 2.6267 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Dichlorobenzoic acid--3H-purin-6-amine (1/1). The TPSA of 117.78 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-Dichlorobenzoic acid--3H-purin-6-amine (1/1). Following Lipinski's Rule of Five, 3,4-Dichlorobenzoic acid--3H-purin-6-amine (1/1) has 3 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 3,4-Dichlorobenzoic acid--3H-purin-6-amine (1/1)?
The CAS number of 3,4-Dichlorobenzoic acid--3H-purin-6-amine (1/1) is 66634-53-5.
What is the molecular formula of 3,4-Dichlorobenzoic acid--3H-purin-6-amine (1/1)?
The molecular formula of 3,4-Dichlorobenzoic acid--3H-purin-6-amine (1/1) is C12H9Cl2N5O2.
What is the molecular weight of 3,4-Dichlorobenzoic acid--3H-purin-6-amine (1/1)?
The molecular weight of 3,4-Dichlorobenzoic acid--3H-purin-6-amine (1/1) is 325.01 g/mol.
Where can I buy 3,4-Dichlorobenzoic acid--3H-purin-6-amine (1/1)?
You can request a quote for 3,4-Dichlorobenzoic acid--3H-purin-6-amine (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dichlorobenzoic acid--3H-purin-6-amine (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dichlorobenzoic acid--3H-purin-6-amine (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.