BAS 00390261
TL;DR: BAS 00390261 (CAS 304880-37-3) is a chemical compound with molecular formula C18H18Cl2N6O2 and molecular weight 420.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(Z)-3-chlorobut-2-enyl]-8-[(2E)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]-3-methylpurine-2,6-dione
Also Known As: BAS 00390261, 7-[(Z)-3-chlorobut-2-enyl]-8-[(2E)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]-3-methylpurine-2,6-dione, 7-(3-chloro-2-butenyl)-8-{2-[1-(4-chlorophenyl)ethylidene]hydrazino}-3-methyl-3,7-dihydro-1H-purine-2,6-dione, 7-((Z)-3-chlorobut-2-en-1-yl)-8-((E)-2-(1-(4-chlorophenyl)ethylidene)hydrazinyl)-3-methyl-1H-purine-2,6(3H,7H)-dione, 7-[(2Z)-3-chlorobut-2-en-1-yl]-8-{(2E)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl}-3-methyl-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C18H18Cl2N6O2 |
|---|---|
| Molecular Weight | 420.09 g/mol |
| LogP | 3.0554 |
| Topological Polar Surface Area | 97.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 420.08682 |
| Heavy Atoms | 28 |
| Complexity | 1197.7694 |
Chemical Identifiers
| CAS Number | 304880-37-3 |
|---|---|
| SMILES | C/C(=C/CN1C2=C(N=C1N/N=C(\C)/C3=CC=C(C=C3)Cl)N(C(=O)NC2=O)C)/Cl |
Product Overview
BAS 00390261 (CAS 304880-37-3), with molecular formula C18H18Cl2N6O2 and molecular weight 420.09 g/mol. IUPAC: 7-[(Z)-3-chlorobut-2-enyl]-8-[(2E)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]-3-methylpurine-2,6-dione.
Chemical Property Profile of BAS 00390261
Property Insights of BAS 00390261
The XLogP value of 3.0554 indicates that BAS 00390261 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.07 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00390261. Following Lipinski's Rule of Five, BAS 00390261 has 2 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 BAS 00390261?
The CAS number of BAS 00390261 is 304880-37-3.
What is the molecular formula of BAS 00390261?
The molecular formula of BAS 00390261 is C18H18Cl2N6O2.
What is the molecular weight of BAS 00390261?
The molecular weight of BAS 00390261 is 420.09 g/mol.
Where can I buy BAS 00390261?
You can request a quote for BAS 00390261 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00390261?
Yes, KEHONG BIO provides custom synthesis services for BAS 00390261 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.