RefChem:318954
TL;DR: RefChem:318954 (CAS 63884-34-4) is a chemical compound with molecular formula C18H30ClIN2O2 and molecular weight 468.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[2-chloroethyl(ethyl)carbamoyl]oxy-2-methyl-5-propan-2-ylphenyl]-trimethylazanium iodide
Also Known As: (5-Hydroxycarvacryl)trimethylammonium iodide, (2-chloroethyl)ethylcarbamate, Ammonium, (5-(N-(2-chloroethyl)-N-ethyl)carbamoyloxy)carvacryltrimethyl-, iodide, Ammonium, (5-hydroxycarvacryl)trimethyl-, iodide, N-(2-chloroethyl)-N-ethylcarbamate, Carbamic acid, N-(2-chloroethyl)-N-ethyl-, 4-dimethylaminothymyl ester, methiodide, Carbamic acid, N-(2-chloroethyl)-N-ethyl-, 6-(trimethylammonio)thymyl ester, iodide
| Molecular Formula | C18H30ClIN2O2 |
|---|---|
| Molecular Weight | 468.10 g/mol |
| LogP | 1.38 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 468.10406 |
| Heavy Atoms | 24 |
| Complexity | 382.0 |
Chemical Identifiers
| CAS Number | 63884-34-4 |
|---|---|
| SMILES | CCN(CCCl)C(=O)OC1=CC(=CC(=C1C)[N+](C)(C)C)C(C)C.[I-] |
| InChIKey | HTFCFPDDUWDBNU-UHFFFAOYSA-M |
Product Overview
RefChem:318954 (CAS 63884-34-4), with molecular formula C18H30ClIN2O2 and molecular weight 468.10 g/mol. IUPAC: [3-[2-chloroethyl(ethyl)carbamoyl]oxy-2-methyl-5-propan-2-ylphenyl]-trimethylazanium iodide.
Chemical Property Profile of RefChem:318954
Property Insights of RefChem:318954
The XLogP value of 1.38 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:318954. With a topological polar surface area (TPSA) of 29.5 Ų, RefChem:318954 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:318954 has 0 hydrogen bond donor(s) and 3 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 RefChem:318954?
The CAS number of RefChem:318954 is 63884-34-4.
What is the molecular formula of RefChem:318954?
The molecular formula of RefChem:318954 is C18H30ClIN2O2.
What is the molecular weight of RefChem:318954?
The molecular weight of RefChem:318954 is 468.10 g/mol.
Where can I buy RefChem:318954?
You can request a quote for RefChem:318954 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:318954?
Yes, KEHONG BIO provides custom synthesis services for RefChem:318954 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.