KST-1B3035
TL;DR: KST-1B3035 (CAS 31875-40-8) is a chemical compound with molecular formula C12H13ClN4O3S and molecular weight 328.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(6-chloro-2-methylsulfanylpurin-9-yl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3-ol
Also Known As: KST-1B3035, 1,5-anhydro-3-[6-chloro-2-(methylsulfanyl)-9h-purin-9-yl]-2,3-dideoxyhex-1-enitol, 4-(6-chloro-2-methylsulfanyl-purin-9-yl)-2-hydroxymethyl-3,4, 4-(6-chloro-2-methylsulfanylpurin-9-yl)-2-(hydroxymethyl)-3,, 4-(6-chloro-2-methylsulfanyl-purin-9-yl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3-ol
| Molecular Formula | C12H13ClN4O3S |
|---|---|
| Molecular Weight | 328.04 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 328.0397 |
| Heavy Atoms | 21 |
| Complexity | 405.0 |
Chemical Identifiers
| CAS Number | 31875-40-8 |
|---|---|
| SMILES | CSC1=NC2=C(C(=N1)Cl)N=CN2C3C=COC(C3O)CO |
| InChIKey | SKFKGLDGVGADBL-UHFFFAOYSA-N |
Product Overview
KST-1B3035 (CAS 31875-40-8), with molecular formula C12H13ClN4O3S and molecular weight 328.04 g/mol. IUPAC: 4-(6-chloro-2-methylsulfanylpurin-9-yl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3-ol.
Chemical Property Profile of KST-1B3035
Property Insights of KST-1B3035
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for KST-1B3035. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for KST-1B3035. Following Lipinski's Rule of Five, KST-1B3035 has 2 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 KST-1B3035?
The CAS number of KST-1B3035 is 31875-40-8.
What is the molecular formula of KST-1B3035?
The molecular formula of KST-1B3035 is C12H13ClN4O3S.
What is the molecular weight of KST-1B3035?
The molecular weight of KST-1B3035 is 328.04 g/mol.
Where can I buy KST-1B3035?
You can request a quote for KST-1B3035 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1B3035?
Yes, KEHONG BIO provides custom synthesis services for KST-1B3035 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.