1,4-Dichlorobutane-2S-3S-diol
TL;DR: 1,4-Dichlorobutane-2S-3S-diol (CAS 40227-39-2) is a chemical compound with molecular formula C4H8Cl2O2 and molecular weight 157.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S)-1,4-dichlorobutane-2,3-diol
Also Known As: 1,4-Dichlorobutane-2S-3S-diol, (2S,3S)-1,4-DICHLOROBUTANE-2,3-DIOL, cis-1,4-Dichlorobutane-2,3-diol, (2S,3S)-1,4-Dichloro-2,3-butanediol, (2S,3S)-1,4-dichlorobutan-2,3-diol
| Molecular Formula | C4H8Cl2O2 |
|---|---|
| Molecular Weight | 157.99 g/mol |
| LogP | 0.1858 |
| Topological Polar Surface Area | 40.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 157.99013 |
| Heavy Atoms | 8 |
| Complexity | 52.0 |
Chemical Identifiers
| CAS Number | 40227-39-2 |
|---|---|
| SMILES | C([C@H]([C@@H](CCl)O)O)Cl |
Product Overview
1,4-Dichlorobutane-2S-3S-diol (CAS 40227-39-2), with molecular formula C4H8Cl2O2 and molecular weight 157.99 g/mol. IUPAC: (2S,3S)-1,4-dichlorobutane-2,3-diol.
Chemical Property Profile of 1,4-Dichlorobutane-2S-3S-diol
Property Insights of 1,4-Dichlorobutane-2S-3S-diol
The XLogP value of 0.1858 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Dichlorobutane-2S-3S-diol. With a topological polar surface area (TPSA) of 40.46 Ų, 1,4-Dichlorobutane-2S-3S-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Dichlorobutane-2S-3S-diol has 2 hydrogen bond donor(s) and 2 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 1,4-Dichlorobutane-2S-3S-diol?
The CAS number of 1,4-Dichlorobutane-2S-3S-diol is 40227-39-2.
What is the molecular formula of 1,4-Dichlorobutane-2S-3S-diol?
The molecular formula of 1,4-Dichlorobutane-2S-3S-diol is C4H8Cl2O2.
What is the molecular weight of 1,4-Dichlorobutane-2S-3S-diol?
The molecular weight of 1,4-Dichlorobutane-2S-3S-diol is 157.99 g/mol.
Where can I buy 1,4-Dichlorobutane-2S-3S-diol?
You can request a quote for 1,4-Dichlorobutane-2S-3S-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Dichlorobutane-2S-3S-diol?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Dichlorobutane-2S-3S-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.