2-磺基己酸1-甲酯
TL;DR: 2-磺基己酸1-甲酯 (CAS 67633-91-4) is a chemical compound with molecular formula C7H14O5S and molecular weight 210.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-磺基己酸1-甲酯
1-methoxy-1-oxohexane-2-sulfonic acid
Also Known As: 1-Methyl 2-sulphohexanoate, 1-methoxy-1-oxohexane-2-sulfonic acid, 1-Methyl 2-sulfohexanoate, 1-methyl2-sulphohexanoate, Methyl caproate-alpha-sulfonic acid
| Molecular Formula | C7H14O5S |
|---|---|
| Molecular Weight | 210.06 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 89.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 210.0562 |
| Heavy Atoms | 13 |
| Complexity | 251.0 |
Chemical Identifiers
| CAS Number | 67633-91-4 |
|---|---|
| SMILES | CCCCC(C(=O)OC)S(=O)(=O)O |
| InChIKey | UBYPTUABMDKJNG-UHFFFAOYSA-N |
Product Overview
2-磺基己酸1-甲酯 (CAS 67633-91-4), with molecular formula C7H14O5S and molecular weight 210.06 g/mol. IUPAC: 1-methoxy-1-oxohexane-2-sulfonic acid.
Chemical Property Profile of 2-磺基己酸1-甲酯
Property Insights of 2-磺基己酸1-甲酯
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-磺基己酸1-甲酯. The TPSA of 89.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-磺基己酸1-甲酯. Following Lipinski's Rule of Five, 2-磺基己酸1-甲酯 has 1 hydrogen bond donor(s) and 5 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 2-磺基己酸1-甲酯?
The CAS number of 2-磺基己酸1-甲酯 is 67633-91-4.
What is the molecular formula of 2-磺基己酸1-甲酯?
The molecular formula of 2-磺基己酸1-甲酯 is C7H14O5S.
What is the molecular weight of 2-磺基己酸1-甲酯?
The molecular weight of 2-磺基己酸1-甲酯 is 210.06 g/mol.
Where can I buy 2-磺基己酸1-甲酯?
You can request a quote for 2-磺基己酸1-甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-磺基己酸1-甲酯?
Yes, KEHONG BIO provides custom synthesis services for 2-磺基己酸1-甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.