1-butylsulfanyl-3-chloro-propan-2-ol
TL;DR: 1-butylsulfanyl-3-chloro-propan-2-ol (CAS 189150-26-3) is a chemical compound with molecular formula C14H20N4O4S and molecular weight 340.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(3-methyl-2,6-dioxo-7-propylpurin-8-yl)sulfanylpropanoate
Also Known As: 1-butylsulfanyl-3-chloro-propan-2-ol, BAS 00552929, ethyl 2-[(3-methyl-2,6-dioxo-7-propyl-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]propanoate, AB00667660-01, F0373-0785
| Molecular Formula | C14H20N4O4S |
|---|---|
| Molecular Weight | 340.12 g/mol |
| LogP | 0.877 |
| Topological Polar Surface Area | 98.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 340.1205 |
| Heavy Atoms | 23 |
| Complexity | 835.64044 |
Chemical Identifiers
| CAS Number | 189150-26-3 |
|---|---|
| SMILES | CCCN1C2=C(N=C1SC(C)C(=O)OCC)N(C(=O)NC2=O)C |
Product Overview
1-butylsulfanyl-3-chloro-propan-2-ol (CAS 189150-26-3), with molecular formula C14H20N4O4S and molecular weight 340.12 g/mol. IUPAC: ethyl 2-(3-methyl-2,6-dioxo-7-propylpurin-8-yl)sulfanylpropanoate.
Chemical Property Profile of 1-butylsulfanyl-3-chloro-propan-2-ol
Property Insights of 1-butylsulfanyl-3-chloro-propan-2-ol
The XLogP value of 0.877 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-butylsulfanyl-3-chloro-propan-2-ol. The TPSA of 98.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-butylsulfanyl-3-chloro-propan-2-ol. Following Lipinski's Rule of Five, 1-butylsulfanyl-3-chloro-propan-2-ol 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 1-butylsulfanyl-3-chloro-propan-2-ol?
The CAS number of 1-butylsulfanyl-3-chloro-propan-2-ol is 189150-26-3.
What is the molecular formula of 1-butylsulfanyl-3-chloro-propan-2-ol?
The molecular formula of 1-butylsulfanyl-3-chloro-propan-2-ol is C14H20N4O4S.
What is the molecular weight of 1-butylsulfanyl-3-chloro-propan-2-ol?
The molecular weight of 1-butylsulfanyl-3-chloro-propan-2-ol is 340.12 g/mol.
Where can I buy 1-butylsulfanyl-3-chloro-propan-2-ol?
You can request a quote for 1-butylsulfanyl-3-chloro-propan-2-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-butylsulfanyl-3-chloro-propan-2-ol?
Yes, KEHONG BIO provides custom synthesis services for 1-butylsulfanyl-3-chloro-propan-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.