Peurtitol B
TL;DR: Peurtitol B (CAS 119736-69-5) 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)-4-bromo-3-chloro-4-methylcyclohexylidene]-2-methylhept-2-en-4-ol
Also Known As: Peurtitol B, (4R,6E)-6-[(3S,4S)-4-bromo-3-chloro-4-methylcyclohexylidene]-2-methylhept-2-en-4-ol, 2-Hepten-4-ol, 6-(4-bromo-3-chloro-4-methylcyclohexylidene)-2-methyl-, (3S-(1E(R*),3alpha,4beta))-, RefChem:172180
| 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 | 119736-69-5 |
|---|---|
| SMILES | CC(=C[C@@H](C/C(=C/1\CC[C@]([C@H](C1)Cl)(C)Br)/C)O)C |
Product Overview
Peurtitol B (CAS 119736-69-5), with molecular formula C15H24BrClO and molecular weight 334.07 g/mol. IUPAC: (4R,6E)-6-[(3S,4S)-4-bromo-3-chloro-4-methylcyclohexylidene]-2-methylhept-2-en-4-ol.
Chemical Property Profile of Peurtitol B
Property Insights of Peurtitol B
The XLogP value of 4.965 indicates that Peurtitol B 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 B exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Peurtitol B 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 B?
The CAS number of Peurtitol B is 119736-69-5.
What is the molecular formula of Peurtitol B?
The molecular formula of Peurtitol B is C15H24BrClO.
What is the molecular weight of Peurtitol B?
The molecular weight of Peurtitol B is 334.07 g/mol.
Where can I buy Peurtitol B?
You can request a quote for Peurtitol B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Peurtitol B?
Yes, KEHONG BIO provides custom synthesis services for Peurtitol B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.