RefChem:544938
TL;DR: RefChem:544938 (CAS 478253-46-2) is a chemical compound with molecular formula C20H23ClN6O3 and molecular weight 430.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(E)-3-chlorobut-2-enyl]-8-[(2E)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-1,3-dimethylpurine-2,6-dione
Also Known As: 7-((E)-3-chlorobut-2-en-1-yl)-8-((E)-2-(1-(4-methoxyphenyl)ethylidene)hydrazinyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, 7-[(2E)-3-CHLORO-2-BUTENYL]-8-{(2E)-2-[1-(4-METHOXYPHENYL)ETHYLIDENE]HYDRAZINO}-1,3-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE, (8E)-7-[(2E)-3-chlorobut-2-en-1-yl]-8-{(2E)-[1-(4-methoxyphenyl)ethylidene]hydrazinylidene}-1,3-dimethyl-3,7,8,9-tetrahydro-1H-purine-2,6-dione, 631-691-2, 7-((2E)-3-Chloro-2-butenyl)-8-((2E)-2-(1-(4-methoxyphenyl)ethylidene)hydrazino)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C20H23ClN6O3 |
|---|---|
| Molecular Weight | 430.15 g/mol |
| LogP | 2.421 |
| Topological Polar Surface Area | 95.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 430.152 |
| Heavy Atoms | 30 |
| Complexity | 1260.9094 |
Chemical Identifiers
| CAS Number | 478253-46-2 |
|---|---|
| SMILES | C/C(=C\CN1C2=C(N=C1N/N=C(\C)/C3=CC=C(C=C3)OC)N(C(=O)N(C2=O)C)C)/Cl |
Product Overview
RefChem:544938 (CAS 478253-46-2), with molecular formula C20H23ClN6O3 and molecular weight 430.15 g/mol. IUPAC: 7-[(E)-3-chlorobut-2-enyl]-8-[(2E)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of RefChem:544938
Property Insights of RefChem:544938
The XLogP value of 2.421 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:544938. The TPSA of 95.44 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:544938. Following Lipinski's Rule of Five, RefChem:544938 has 1 hydrogen bond donor(s) and 6 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 RefChem:544938?
The CAS number of RefChem:544938 is 478253-46-2.
What is the molecular formula of RefChem:544938?
The molecular formula of RefChem:544938 is C20H23ClN6O3.
What is the molecular weight of RefChem:544938?
The molecular weight of RefChem:544938 is 430.15 g/mol.
Where can I buy RefChem:544938?
You can request a quote for RefChem:544938 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:544938?
Yes, KEHONG BIO provides custom synthesis services for RefChem:544938 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.