2,2-Dichlorobutane-1,4-diol
TL;DR: 2,2-Dichlorobutane-1,4-diol (CAS 3127-13-7) 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.
2,2-dichlorobutane-1,4-diol
Also Known As: 2,2-dichlorobutane-1,4-diol, 1,4-Butanediol,2,2-dichloro-, 2,2-DICHLORO-1,4-BUTANEDIOL, 2,2-Dichloro-1,4-butanediol,99, 2,2-DICHLORO-1,4-BUTANEDIOL, 99
| Molecular Formula | C4H8Cl2O2 |
|---|---|
| Molecular Weight | 157.99 g/mol |
| LogP | 0.535 |
| 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 | 65.05865 |
Chemical Identifiers
| CAS Number | 3127-13-7 |
|---|---|
| SMILES | C(CO)C(CO)(Cl)Cl |
Product Overview
2,2-Dichlorobutane-1,4-diol (CAS 3127-13-7), with molecular formula C4H8Cl2O2 and molecular weight 157.99 g/mol. IUPAC: 2,2-dichlorobutane-1,4-diol.
Chemical Property Profile of 2,2-Dichlorobutane-1,4-diol
Property Insights of 2,2-Dichlorobutane-1,4-diol
The XLogP value of 0.535 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Dichlorobutane-1,4-diol. With a topological polar surface area (TPSA) of 40.46 Ų, 2,2-Dichlorobutane-1,4-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Dichlorobutane-1,4-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 2,2-Dichlorobutane-1,4-diol?
The CAS number of 2,2-Dichlorobutane-1,4-diol is 3127-13-7.
What is the molecular formula of 2,2-Dichlorobutane-1,4-diol?
The molecular formula of 2,2-Dichlorobutane-1,4-diol is C4H8Cl2O2.
What is the molecular weight of 2,2-Dichlorobutane-1,4-diol?
The molecular weight of 2,2-Dichlorobutane-1,4-diol is 157.99 g/mol.
Where can I buy 2,2-Dichlorobutane-1,4-diol?
You can request a quote for 2,2-Dichlorobutane-1,4-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Dichlorobutane-1,4-diol?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dichlorobutane-1,4-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.