Ammonium, (5-hydroxycarvacryl)trimethyl-, iodide, methylcarbamate
TL;DR: Ammonium, (5-hydroxycarvacryl)trimethyl-, iodide, methylcarbamate (CAS 20347-56-2) is a chemical compound with molecular formula C15H25IN2O2 and molecular weight 392.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trimethyl-[2-methyl-4-(methylcarbamoyloxy)-5-propan-2-ylphenyl]azanium iodide
Also Known As: Carbamic acid, methyl-, (6-trimethylammonio)thymyl ester, iodide, Ammonium, (5-methylcarbamoyloxycarvacryl)trimethyl-, iodide, Ammonium, (5-hydroxycarvacryl)trimethyl-, iodide, methylcarbamate, Carbamic acid, N-methyl-, 4-dimethylaminothymyl ester, methiodide, trimethyl-[2-methyl-4-5-propan-2-yl-phenyl]azaniumiodide
| Molecular Formula | C15H25IN2O2 |
|---|---|
| Molecular Weight | 392.10 g/mol |
| LogP | 0.04 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 392.09607 |
| Heavy Atoms | 20 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 20347-56-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1[N+](C)(C)C)C(C)C)OC(=O)NC.[I-] |
| InChIKey | BYQKKYSINXQDEZ-UHFFFAOYSA-N |
Product Overview
Ammonium, (5-hydroxycarvacryl)trimethyl-, iodide, methylcarbamate (CAS 20347-56-2), with molecular formula C15H25IN2O2 and molecular weight 392.10 g/mol. IUPAC: trimethyl-[2-methyl-4-(methylcarbamoyloxy)-5-propan-2-ylphenyl]azanium iodide.
Chemical Property Profile of Ammonium, (5-hydroxycarvacryl)trimethyl-, iodide, methylcarbamate
Property Insights of Ammonium, (5-hydroxycarvacryl)trimethyl-, iodide, methylcarbamate
The XLogP value of 0.04 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ammonium, (5-hydroxycarvacryl)trimethyl-, iodide, methylcarbamate. With a topological polar surface area (TPSA) of 38.3 Ų, Ammonium, (5-hydroxycarvacryl)trimethyl-, iodide, methylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ammonium, (5-hydroxycarvacryl)trimethyl-, iodide, methylcarbamate has 1 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 Ammonium, (5-hydroxycarvacryl)trimethyl-, iodide, methylcarbamate?
The CAS number of Ammonium, (5-hydroxycarvacryl)trimethyl-, iodide, methylcarbamate is 20347-56-2.
What is the molecular formula of Ammonium, (5-hydroxycarvacryl)trimethyl-, iodide, methylcarbamate?
The molecular formula of Ammonium, (5-hydroxycarvacryl)trimethyl-, iodide, methylcarbamate is C15H25IN2O2.
What is the molecular weight of Ammonium, (5-hydroxycarvacryl)trimethyl-, iodide, methylcarbamate?
The molecular weight of Ammonium, (5-hydroxycarvacryl)trimethyl-, iodide, methylcarbamate is 392.10 g/mol.
Where can I buy Ammonium, (5-hydroxycarvacryl)trimethyl-, iodide, methylcarbamate?
You can request a quote for Ammonium, (5-hydroxycarvacryl)trimethyl-, iodide, methylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ammonium, (5-hydroxycarvacryl)trimethyl-, iodide, methylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for Ammonium, (5-hydroxycarvacryl)trimethyl-, iodide, methylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.