氯甲酸辛酯
TL;DR: 氯甲酸辛酯 (CAS 7452-59-7) is a chemical compound with molecular formula C9H17ClO2 and molecular weight 192.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氯甲酸辛酯
octyl carbonochloridate
Also Known As: Octyl chloroformate, n-Octyl chloroformate, octyl carbonochloridate, Carbonochloridic acid, octyl ester, Chloroformic Acid n-Octyl Ester
| Molecular Formula | C9H17ClO2 |
|---|---|
| Molecular Weight | 192.09 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 192.0917 |
| Heavy Atoms | 12 |
| Complexity | 115.0 |
Chemical Identifiers
| CAS Number | 7452-59-7 |
|---|---|
| SMILES | CCCCCCCCOC(=O)Cl |
| InChIKey | VFXVAXFIFHSGNR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
氯甲酸辛酯 (CAS 7452-59-7), with molecular formula C9H17ClO2 and molecular weight 192.09 g/mol. IUPAC: octyl carbonochloridate.
Chemical Property Profile of 氯甲酸辛酯
Property Insights of 氯甲酸辛酯
The XLogP value of 4.5 indicates that 氯甲酸辛酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 氯甲酸辛酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 氯甲酸辛酯 has 0 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 氯甲酸辛酯?
The CAS number of 氯甲酸辛酯 is 7452-59-7.
What is the molecular formula of 氯甲酸辛酯?
The molecular formula of 氯甲酸辛酯 is C9H17ClO2.
What is the molecular weight of 氯甲酸辛酯?
The molecular weight of 氯甲酸辛酯 is 192.09 g/mol.
Where can I buy 氯甲酸辛酯?
You can request a quote for 氯甲酸辛酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氯甲酸辛酯?
Yes, KEHONG BIO provides custom synthesis services for 氯甲酸辛酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.