Ammonium, (5-hydroxycarvacryl)trimethyl-, chloride, bis(2-chloroethyl)carbamate
TL;DR: Ammonium, (5-hydroxycarvacryl)trimethyl-, chloride, bis(2-chloroethyl)carbamate (CAS 63981-84-0) is a chemical compound with molecular formula C18H29Cl3N2O2 and molecular weight 410.12946 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[3-[bis(2-chloroethyl)carbamoyloxy]-2-methyl-5-propan-2-ylphenyl]-trimethylazanium chloride
Also Known As: Carbamic acid, bis(2-chloroethyl)-, 6-(trimethylammonio)thymyl ester, chloride, Ammonium, (5-bis(2-chloroethyl)carbamoyloxy)carvacryltrimethyl-, chloride, AMMONIUM, (5-HYDROXYCARVACRYL)TRIMETHYL-, CHLORIDE, BIS(2-CHLOROETHYL)CARBAMATE, Carbamic acid, N,N-bis(2-chloroethyl)-, 4-dimethylaminothymyl ester, methochloride, [3-[bis(2-chloroethyl)carbamoyloxy]-2-methyl-5-propan-2-ylphenyl]-trimethylazanium chloride
Technical Specifications
| Molecular Formula | C18H29Cl3N2O2 |
| Molecular Weight | 410.12946 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 410.12946 Da |
| Heavy Atoms | 25 |
| Complexity | 393.0 |
| SMILES | CC1=C(C=C(C=C1OC(=O)N(CCCl)CCCl)C(C)C)[N+](C)(C)C.[Cl-] |
| InChIKey | CDTHCSNQEWSARI-UHFFFAOYSA-M |
Chemical Property Profile of Ammonium, (5-hydroxycarvacryl)trimethyl-, chloride, bis(2-chloroethyl)carbamate
Property Insights of Ammonium, (5-hydroxycarvacryl)trimethyl-, chloride, bis(2-chloroethyl)carbamate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ammonium, (5-hydroxycarvacryl)trimethyl-, chloride, bis(2-chloroethyl)carbamate. With a topological polar surface area (TPSA) of 29.5 Ų, Ammonium, (5-hydroxycarvacryl)trimethyl-, chloride, bis(2-chloroethyl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ammonium, (5-hydroxycarvacryl)trimethyl-, chloride, bis(2-chloroethyl)carbamate 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
What is the CAS number of Ammonium, (5-hydroxycarvacryl)trimethyl-, chloride, bis(2-chloroethyl)carbamate?
The CAS number of Ammonium, (5-hydroxycarvacryl)trimethyl-, chloride, bis(2-chloroethyl)carbamate is 63981-84-0.
What is the molecular formula of Ammonium, (5-hydroxycarvacryl)trimethyl-, chloride, bis(2-chloroethyl)carbamate?
The molecular formula of Ammonium, (5-hydroxycarvacryl)trimethyl-, chloride, bis(2-chloroethyl)carbamate is C18H29Cl3N2O2.
What is the molecular weight of Ammonium, (5-hydroxycarvacryl)trimethyl-, chloride, bis(2-chloroethyl)carbamate?
The molecular weight of Ammonium, (5-hydroxycarvacryl)trimethyl-, chloride, bis(2-chloroethyl)carbamate is 410.12946 g/mol.
Where can I buy Ammonium, (5-hydroxycarvacryl)trimethyl-, chloride, bis(2-chloroethyl)carbamate?
You can request a quote for Ammonium, (5-hydroxycarvacryl)trimethyl-, chloride, bis(2-chloroethyl)carbamate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ammonium, (5-hydroxycarvacryl)trimethyl-, chloride, bis(2-chloroethyl)carbamate?
Yes, CoreyChem provides custom synthesis services for Ammonium, (5-hydroxycarvacryl)trimethyl-, chloride, bis(2-chloroethyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.