羧甲司坦
TL;DR: 羧甲司坦 (CAS 638-23-3) is a chemical compound with molecular formula C11H21ClO2 and molecular weight 220.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
羧甲司坦
4-(chloromethyl)-2-hexyl-2-methyl-1,3-dioxolane
Also Known As: p-Anisyl-5-brompentylketon, 4-(chloromethyl)-2-hexyl-2-methyl-1,3-dioxolane, 4- -2-hexyl-2-methyl-1,3-dioxolane, 1,3-Dioxolane,4-(chloromethyl)-2-hexyl-2-methyl-
| Molecular Formula | C11H21ClO2 |
|---|---|
| Molecular Weight | 220.12 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 220.123 |
| Heavy Atoms | 14 |
| Complexity | 163.0 |
Chemical Identifiers
| CAS Number | 638-23-3 |
|---|---|
| SMILES | CCCCCCC1(OCC(O1)CCl)C |
| InChIKey | AMTFVXCQVSYQLD-UHFFFAOYSA-N |
Product Overview
羧甲司坦 (CAS 638-23-3), with molecular formula C11H21ClO2 and molecular weight 220.12 g/mol. IUPAC: 4-(chloromethyl)-2-hexyl-2-methyl-1,3-dioxolane.
Chemical Property Profile of 羧甲司坦
Property Insights of 羧甲司坦
The XLogP value of 3.6 indicates that 羧甲司坦 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.5 Ų, 羧甲司坦 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 羧甲司坦 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 羧甲司坦?
The CAS number of 羧甲司坦 is 638-23-3.
What is the molecular formula of 羧甲司坦?
The molecular formula of 羧甲司坦 is C11H21ClO2.
What is the molecular weight of 羧甲司坦?
The molecular weight of 羧甲司坦 is 220.12 g/mol.
Where can I buy 羧甲司坦?
You can request a quote for 羧甲司坦 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 羧甲司坦?
Yes, KEHONG BIO provides custom synthesis services for 羧甲司坦 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.