Peurtitol A
TL;DR: Peurtitol A (CAS 119736-67-3) is a chemical compound with molecular formula C15H24BrClO and molecular weight 334.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R,6E)-6-[(3S,4S)-3-bromo-4-chloro-4-methylcyclohexylidene]-2-methylhept-2-en-4-ol
Also Known As: Peurtitol A, (4R,6E)-6-[(3S,4S)-3-bromo-4-chloro-4-methylcyclohexylidene]-2-methylhept-2-en-4-ol, 6-(3-Bromo-4-chloro-4-methylcyclohexylidene)-2-methyl-2-hepten-4-ol (3S-(1E(R*),3alpha,4beta))-, 2-Hepten-4-ol, 6-(3-bromo-4-chloro-4-methylcyclohexylidene)-2-methyl-, (3S-(1E(R*),3alpha,4beta))-, RefChem:172179
| Molecular Formula | C15H24BrClO |
|---|---|
| Molecular Weight | 334.07 g/mol |
| LogP | 4.965 |
| Topological Polar Surface Area | 20.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 334.06992 |
| Heavy Atoms | 18 |
| Complexity | 353.5051 |
Chemical Identifiers
| CAS Number | 119736-67-3 |
|---|---|
| SMILES | CC(=C[C@@H](C/C(=C/1\CC[C@]([C@H](C1)Br)(C)Cl)/C)O)C |
Product Overview
Peurtitol A (CAS 119736-67-3), with molecular formula C15H24BrClO and molecular weight 334.07 g/mol. IUPAC: (4R,6E)-6-[(3S,4S)-3-bromo-4-chloro-4-methylcyclohexylidene]-2-methylhept-2-en-4-ol.
Chemical Property Profile of Peurtitol A
Property Insights of Peurtitol A
The XLogP value of 4.965 indicates that Peurtitol A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.23 Ų, Peurtitol A exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Peurtitol A 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 Peurtitol A?
The CAS number of Peurtitol A is 119736-67-3.
What is the molecular formula of Peurtitol A?
The molecular formula of Peurtitol A is C15H24BrClO.
What is the molecular weight of Peurtitol A?
The molecular weight of Peurtitol A is 334.07 g/mol.
Where can I buy Peurtitol A?
You can request a quote for Peurtitol A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Peurtitol A?
Yes, KEHONG BIO provides custom synthesis services for Peurtitol A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.