1-Chloro-3-(pentachlorophenoxy)propan-2-ol
TL;DR: 1-Chloro-3-(pentachlorophenoxy)propan-2-ol (CAS 4769-72-6) is a chemical compound with molecular formula C9H6Cl6O2 and molecular weight 355.85 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-3-(2,3,4,5,6-pentachlorophenoxy)propan-2-ol
Also Known As: 1-chloro-3-(pentachlorophenoxy)propan-2-ol, 1-chloro-3-(2,3,4,5,6-pentachlorophenoxy)propan-2-ol, (4S,4aS,5aR,12aS)-4-(Dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-9-(methylamino)-1,11-dioxo-2-naphthacenecarboxamide
| Molecular Formula | C9H6Cl6O2 |
|---|---|
| Molecular Weight | 355.85 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 355.84988 |
| Heavy Atoms | 17 |
| Complexity | 228.0 |
Chemical Identifiers
| CAS Number | 4769-72-6 |
|---|---|
| SMILES | C(C(CCl)O)OC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl |
| InChIKey | IDURHILYOBEZIP-UHFFFAOYSA-N |
Product Overview
1-Chloro-3-(pentachlorophenoxy)propan-2-ol (CAS 4769-72-6), with molecular formula C9H6Cl6O2 and molecular weight 355.85 g/mol. IUPAC: 1-chloro-3-(2,3,4,5,6-pentachlorophenoxy)propan-2-ol.
Chemical Property Profile of 1-Chloro-3-(pentachlorophenoxy)propan-2-ol
Property Insights of 1-Chloro-3-(pentachlorophenoxy)propan-2-ol
The XLogP value of 5.0 indicates that 1-Chloro-3-(pentachlorophenoxy)propan-2-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, 1-Chloro-3-(pentachlorophenoxy)propan-2-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-3-(pentachlorophenoxy)propan-2-ol has 1 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-Chloro-3-(pentachlorophenoxy)propan-2-ol?
The CAS number of 1-Chloro-3-(pentachlorophenoxy)propan-2-ol is 4769-72-6.
What is the molecular formula of 1-Chloro-3-(pentachlorophenoxy)propan-2-ol?
The molecular formula of 1-Chloro-3-(pentachlorophenoxy)propan-2-ol is C9H6Cl6O2.
What is the molecular weight of 1-Chloro-3-(pentachlorophenoxy)propan-2-ol?
The molecular weight of 1-Chloro-3-(pentachlorophenoxy)propan-2-ol is 355.85 g/mol.
Where can I buy 1-Chloro-3-(pentachlorophenoxy)propan-2-ol?
You can request a quote for 1-Chloro-3-(pentachlorophenoxy)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-Chloro-3-(pentachlorophenoxy)propan-2-ol?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-3-(pentachlorophenoxy)propan-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.