1,2-BUTANEDIOL
TL;DR: 1,2-BUTANEDIOL (CAS 260415-63-2) is a chemical compound with molecular formula C21H16Cl2N4OS and molecular weight 442.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(2,6-dichlorophenyl)-8-methyl-2-(3-methylsulfanylanilino)pyrido[2,3-d]pyrimidin-7-one
Also Known As: 1,2-BUTANEDIOL, Pd 173955, 6-(2,6-dichlorophenyl)-8-methyl-2-((3-(methylthio)phenyl)amino)pyrido[2,3-d]pyrimidin-7(8H)-one, 6-(2,6-dichlorophenyl)-8-methyl-2-(3-methylsulfanylanilino)pyrido[2,3-d]pyrimidin-7-one, 6-(2,6-Dichlorophenyl)-8-methyl-2-[[3-(methylthio)phenyl]amino]pyrido[2,3-d]pyrimidin-7(8H)-one
| Molecular Formula | C21H16Cl2N4OS |
|---|---|
| Molecular Weight | 442.04 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 83.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 442.04218 |
| Heavy Atoms | 29 |
| Complexity | 626.0 |
Chemical Identifiers
| CAS Number | 260415-63-2 |
|---|---|
| SMILES | CN1C2=NC(=NC=C2C=C(C1=O)C3=C(C=CC=C3Cl)Cl)NC4=CC(=CC=C4)SC |
| InChIKey | VAARYSWULJUGST-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2-BUTANEDIOL (CAS 260415-63-2), with molecular formula C21H16Cl2N4OS and molecular weight 442.04 g/mol. IUPAC: 6-(2,6-dichlorophenyl)-8-methyl-2-(3-methylsulfanylanilino)pyrido[2,3-d]pyrimidin-7-one.
Chemical Property Profile of 1,2-BUTANEDIOL
Property Insights of 1,2-BUTANEDIOL
The XLogP value of 5.4 indicates that 1,2-BUTANEDIOL is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-BUTANEDIOL. Following Lipinski's Rule of Five, 1,2-BUTANEDIOL has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,2-BUTANEDIOL?
The CAS number of 1,2-BUTANEDIOL is 260415-63-2.
What is the molecular formula of 1,2-BUTANEDIOL?
The molecular formula of 1,2-BUTANEDIOL is C21H16Cl2N4OS.
What is the molecular weight of 1,2-BUTANEDIOL?
The molecular weight of 1,2-BUTANEDIOL is 442.04 g/mol.
Where can I buy 1,2-BUTANEDIOL?
You can request a quote for 1,2-BUTANEDIOL directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-BUTANEDIOL?
Yes, KEHONG BIO provides custom synthesis services for 1,2-BUTANEDIOL and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.