(S)-oct-1-yn-4-ol
TL;DR: (S)-oct-1-yn-4-ol (CAS 5609-00-7) is a chemical compound with molecular formula C22H24ClNO5 and molecular weight 417.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 4-(6-chloro-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: (S)-oct-1-yn-4-ol, BAS 01403868, 7,12-Dioxa-3-azaspiro[5.6]dodecane,8,11-dimethyl-, AB00090375-01, A1727/0073497
| Molecular Formula | C22H24ClNO5 |
|---|---|
| Molecular Weight | 417.13 g/mol |
| LogP | 4.3799 |
| Topological Polar Surface Area | 73.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 417.1343 |
| Heavy Atoms | 29 |
| Complexity | 933.3755 |
Chemical Identifiers
| CAS Number | 5609-00-7 |
|---|---|
| SMILES | CCCCOC(=O)C1=C(NC2=C(C1C3=CC4=C(C=C3Cl)OCO4)C(=O)CCC2)C |
Product Overview
(S)-oct-1-yn-4-ol (CAS 5609-00-7), with molecular formula C22H24ClNO5 and molecular weight 417.13 g/mol. IUPAC: butyl 4-(6-chloro-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of (S)-oct-1-yn-4-ol
Property Insights of (S)-oct-1-yn-4-ol
The XLogP value of 4.3799 indicates that (S)-oct-1-yn-4-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.86 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-oct-1-yn-4-ol. Following Lipinski's Rule of Five, (S)-oct-1-yn-4-ol has 1 hydrogen bond donor(s) and 6 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 (S)-oct-1-yn-4-ol?
The CAS number of (S)-oct-1-yn-4-ol is 5609-00-7.
What is the molecular formula of (S)-oct-1-yn-4-ol?
The molecular formula of (S)-oct-1-yn-4-ol is C22H24ClNO5.
What is the molecular weight of (S)-oct-1-yn-4-ol?
The molecular weight of (S)-oct-1-yn-4-ol is 417.13 g/mol.
Where can I buy (S)-oct-1-yn-4-ol?
You can request a quote for (S)-oct-1-yn-4-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-oct-1-yn-4-ol?
Yes, KEHONG BIO provides custom synthesis services for (S)-oct-1-yn-4-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.