刀豆氨酸
TL;DR: 刀豆氨酸 (CAS 543-38-4) is a chemical compound with molecular formula C11H23ClOS and molecular weight 238.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
刀豆氨酸
1-chloro-3-octylsulfanylpropan-2-ol
Also Known As: NCIOpen2_003173, 1-chloro-3-(octylsulfanyl)propan-2-ol, 1-chloro-3-octylsulfanylpropan-2-ol, 1-chloro-3-(octylthio)propan-2-ol, 1-Chlor-3-octylmercapto-propan-2-ol
| Molecular Formula | C11H23ClOS |
|---|---|
| Molecular Weight | 238.12 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 45.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 10 |
| Exact Mass | 238.11581 |
| Heavy Atoms | 14 |
| Complexity | 111.0 |
Chemical Identifiers
| CAS Number | 543-38-4 |
|---|---|
| SMILES | CCCCCCCCSCC(CCl)O |
| InChIKey | JASNOKGFPPPKKU-UHFFFAOYSA-N |
Product Overview
刀豆氨酸 (CAS 543-38-4), with molecular formula C11H23ClOS and molecular weight 238.12 g/mol. IUPAC: 1-chloro-3-octylsulfanylpropan-2-ol.
Chemical Property Profile of 刀豆氨酸
Property Insights of 刀豆氨酸
The XLogP value of 4.3 indicates that 刀豆氨酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.5 Ų, 刀豆氨酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 刀豆氨酸 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 刀豆氨酸?
The CAS number of 刀豆氨酸 is 543-38-4.
What is the molecular formula of 刀豆氨酸?
The molecular formula of 刀豆氨酸 is C11H23ClOS.
What is the molecular weight of 刀豆氨酸?
The molecular weight of 刀豆氨酸 is 238.12 g/mol.
Where can I buy 刀豆氨酸?
You can request a quote for 刀豆氨酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 刀豆氨酸?
Yes, KEHONG BIO provides custom synthesis services for 刀豆氨酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.