1,1,1,3,4,4-Hexachloro-3-buten-2-ol
TL;DR: 1,1,1,3,4,4-Hexachloro-3-buten-2-ol (CAS 18767-28-7) is a chemical compound with molecular formula C4H2Cl6O and molecular weight 275.82 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1,3,4,4-hexachlorobut-3-en-2-ol
Also Known As: 1,1,1,3,4,4-hexachloro-3-buten-2-ol, 1,1,1,3,4,4-hexachlorobut-3-en-2-ol
| Molecular Formula | C4H2Cl6O |
|---|---|
| Molecular Weight | 275.82 g/mol |
| LogP | 3.603 |
| Topological Polar Surface Area | 20.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 275.82367 |
| Heavy Atoms | 11 |
| Complexity | 165.91132 |
Chemical Identifiers
| CAS Number | 18767-28-7 |
|---|---|
| SMILES | C(C(=C(Cl)Cl)Cl)(C(Cl)(Cl)Cl)O |
Product Overview
1,1,1,3,4,4-Hexachloro-3-buten-2-ol (CAS 18767-28-7), with molecular formula C4H2Cl6O and molecular weight 275.82 g/mol. IUPAC: 1,1,1,3,4,4-hexachlorobut-3-en-2-ol.
Chemical Property Profile of 1,1,1,3,4,4-Hexachloro-3-buten-2-ol
Property Insights of 1,1,1,3,4,4-Hexachloro-3-buten-2-ol
The XLogP value of 3.603 indicates that 1,1,1,3,4,4-Hexachloro-3-buten-2-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.23 Ų, 1,1,1,3,4,4-Hexachloro-3-buten-2-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,1,3,4,4-Hexachloro-3-buten-2-ol has 1 hydrogen bond donor(s) and 1 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 1,1,1,3,4,4-Hexachloro-3-buten-2-ol?
The CAS number of 1,1,1,3,4,4-Hexachloro-3-buten-2-ol is 18767-28-7.
What is the molecular formula of 1,1,1,3,4,4-Hexachloro-3-buten-2-ol?
The molecular formula of 1,1,1,3,4,4-Hexachloro-3-buten-2-ol is C4H2Cl6O.
What is the molecular weight of 1,1,1,3,4,4-Hexachloro-3-buten-2-ol?
The molecular weight of 1,1,1,3,4,4-Hexachloro-3-buten-2-ol is 275.82 g/mol.
Where can I buy 1,1,1,3,4,4-Hexachloro-3-buten-2-ol?
You can request a quote for 1,1,1,3,4,4-Hexachloro-3-buten-2-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1,1,3,4,4-Hexachloro-3-buten-2-ol?
Yes, KEHONG BIO provides custom synthesis services for 1,1,1,3,4,4-Hexachloro-3-buten-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.