RefChem:544933
TL;DR: RefChem:544933 (CAS 478253-45-1) is a chemical compound with molecular formula C19H20ClN7O4 and molecular weight 445.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(E)-3-chlorobut-2-enyl]-1,3-dimethyl-8-[(2E)-2-[1-(4-nitrophenyl)ethylidene]hydrazinyl]purine-2,6-dione
Also Known As: 7-[(2E)-3-CHLORO-2-BUTENYL]-1,3-DIMETHYL-8-{(2E)-2-[1-(4-NITROPHENYL)ETHYLIDENE]HYDRAZINO}-3,7-DIHYDRO-1H-PURINE-2,6-DIONE, 7-((E)-3-chlorobut-2-en-1-yl)-1,3-dimethyl-8-((E)-2-(1-(4-nitrophenyl)ethylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione, (8E)-7-[(2E)-3-chlorobut-2-en-1-yl]-1,3-dimethyl-8-{(2E)-[1-(4-nitrophenyl)ethylidene]hydrazinylidene}-3,7,8,9-tetrahydro-1H-purine-2,6-dione, 631-909-6, 7-((2E)-3-Chloro-2-butenyl)-1,3-dimethyl-8-((2E)-2-(1-(4-nitrophenyl)ethylidene)hydrazino)-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C19H20ClN7O4 |
|---|---|
| Molecular Weight | 445.13 g/mol |
| LogP | 2.3206 |
| Topological Polar Surface Area | 129.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 445.12653 |
| Heavy Atoms | 31 |
| Complexity | 1342.809 |
Chemical Identifiers
| CAS Number | 478253-45-1 |
|---|---|
| SMILES | C/C(=C\CN1C2=C(N=C1N/N=C(\C)/C3=CC=C(C=C3)[N+](=O)[O-])N(C(=O)N(C2=O)C)C)/Cl |
Product Overview
RefChem:544933 (CAS 478253-45-1), with molecular formula C19H20ClN7O4 and molecular weight 445.13 g/mol. IUPAC: 7-[(E)-3-chlorobut-2-enyl]-1,3-dimethyl-8-[(2E)-2-[1-(4-nitrophenyl)ethylidene]hydrazinyl]purine-2,6-dione.
Chemical Property Profile of RefChem:544933
Property Insights of RefChem:544933
The XLogP value of 2.3206 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:544933. The TPSA of 129.35 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:544933. Following Lipinski's Rule of Five, RefChem:544933 has 1 hydrogen bond donor(s) and 7 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:544933?
The CAS number of RefChem:544933 is 478253-45-1.
What is the molecular formula of RefChem:544933?
The molecular formula of RefChem:544933 is C19H20ClN7O4.
What is the molecular weight of RefChem:544933?
The molecular weight of RefChem:544933 is 445.13 g/mol.
Where can I buy RefChem:544933?
You can request a quote for RefChem:544933 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:544933?
Yes, KEHONG BIO provides custom synthesis services for RefChem:544933 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.