C17H28ClNO.ClH
TL;DR: C17H28ClNO.ClH (CAS 16793-82-1) is a chemical compound with molecular formula C17H29Cl2NO and molecular weight 333.16263 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(2-chloroethyl)-N-ethyl-1-(5-methyl-2-propan-2-ylphenoxy)propan-2-amine;hydrochloride
Also Known As: WV 0080, p-Cymene, 3-(2-(N-(2-chloroethyl)-N-ethylamino)propoxy)-, hydrochloride, beta-(N-(2-Chloroethyl)-N-ethylamino)-beta,5-dimethyl-2-isopropylphenetole hydrochloride, Phenetole, beta-(N-(2-chloroethyl)-N-ethylamino)-beta,5-dimethyl-2-isopropyl-, hydrochloride, Triethylamine, 2'-chloro-1-methyl-2-(thymyloxy)-, hydrochloride
Technical Specifications
| Molecular Formula | C17H29Cl2NO |
| Molecular Weight | 333.16263 g/mol |
| XLogP | 4.86822 |
| Topological Polar Surface Area (TPSA) | 12.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 333.16263 Da |
| Heavy Atoms | 21 |
| Complexity | 259.0 |
| SMILES | CCN(CCCl)C(C)COC1=C(C=CC(=C1)C)C(C)C.Cl |
| InChIKey | DDGABOXCYUEIOV-UHFFFAOYSA-N |
Chemical Property Profile of C17H28ClNO.ClH
Property Insights of C17H28ClNO.ClH
The XLogP value of 4.86822 indicates that C17H28ClNO.ClH is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.5 Ų, C17H28ClNO.ClH exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C17H28ClNO.ClH has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of C17H28ClNO.ClH?
The CAS number of C17H28ClNO.ClH is 16793-82-1.
What is the molecular formula of C17H28ClNO.ClH?
The molecular formula of C17H28ClNO.ClH is C17H29Cl2NO.
What is the molecular weight of C17H28ClNO.ClH?
The molecular weight of C17H28ClNO.ClH is 333.16263 g/mol.
Where can I buy C17H28ClNO.ClH?
You can request a quote for C17H28ClNO.ClH directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C17H28ClNO.ClH?
Yes, CoreyChem provides custom synthesis services for C17H28ClNO.ClH and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.