1-(3-(Bis(2-chloroethyl)amino)-1-propynyl)-2-methylcyclohexanol hydrochloride
TL;DR: 1-(3-(Bis(2-chloroethyl)amino)-1-propynyl)-2-methylcyclohexanol hydrochloride (CAS 5336-68-5) is a chemical compound with molecular formula C14H24Cl3NO and molecular weight 327.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-[bis(2-chloroethyl)amino]prop-1-ynyl]-2-methylcyclohexan-1-ol;hydrochloride
Also Known As: 1-(3-(Bis(2-chloroethyl)amino)-1-propynyl)-2-methylcyclohexanol hydrochloride, Cyclohexanol, 1-(3-(bis(2-chloroethyl)amino)-1-propynyl)-2-methyl-, hydrochloride, 1-{3-[bis(2-chloroethyl)amino]prop-1-yn-1-yl}-2-methylcyclohexanol hydrochloride(1:1), 1-[bis(2-chloroethyl)amino]-4-methyldec-2-yn-4-ol hydrochloride(1:1), 1-[3-[bis(2-chloroethyl)amino]prop-1-ynyl]-2-methylcyclohexan-1-ol hydrochloride
| Molecular Formula | C14H24Cl3NO |
|---|---|
| Molecular Weight | 327.09 g/mol |
| LogP | 3.1324 |
| Topological Polar Surface Area | 23.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 327.09235 |
| Heavy Atoms | 19 |
| Complexity | 303.0 |
Chemical Identifiers
| CAS Number | 5336-68-5 |
|---|---|
| SMILES | CC1CCCCC1(C#CCN(CCCl)CCCl)O.Cl |
| InChIKey | QFYAPYJZISAXPP-UHFFFAOYSA-N |
Product Overview
1-(3-(Bis(2-chloroethyl)amino)-1-propynyl)-2-methylcyclohexanol hydrochloride (CAS 5336-68-5), with molecular formula C14H24Cl3NO and molecular weight 327.09 g/mol. IUPAC: 1-[3-[bis(2-chloroethyl)amino]prop-1-ynyl]-2-methylcyclohexan-1-ol;hydrochloride.
Chemical Property Profile of 1-(3-(Bis(2-chloroethyl)amino)-1-propynyl)-2-methylcyclohexanol hydrochloride
Property Insights of 1-(3-(Bis(2-chloroethyl)amino)-1-propynyl)-2-methylcyclohexanol hydrochloride
The XLogP value of 3.1324 indicates that 1-(3-(Bis(2-chloroethyl)amino)-1-propynyl)-2-methylcyclohexanol hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.5 Ų, 1-(3-(Bis(2-chloroethyl)amino)-1-propynyl)-2-methylcyclohexanol hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-(Bis(2-chloroethyl)amino)-1-propynyl)-2-methylcyclohexanol hydrochloride has 2 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 1-(3-(Bis(2-chloroethyl)amino)-1-propynyl)-2-methylcyclohexanol hydrochloride?
The CAS number of 1-(3-(Bis(2-chloroethyl)amino)-1-propynyl)-2-methylcyclohexanol hydrochloride is 5336-68-5.
What is the molecular formula of 1-(3-(Bis(2-chloroethyl)amino)-1-propynyl)-2-methylcyclohexanol hydrochloride?
The molecular formula of 1-(3-(Bis(2-chloroethyl)amino)-1-propynyl)-2-methylcyclohexanol hydrochloride is C14H24Cl3NO.
What is the molecular weight of 1-(3-(Bis(2-chloroethyl)amino)-1-propynyl)-2-methylcyclohexanol hydrochloride?
The molecular weight of 1-(3-(Bis(2-chloroethyl)amino)-1-propynyl)-2-methylcyclohexanol hydrochloride is 327.09 g/mol.
Where can I buy 1-(3-(Bis(2-chloroethyl)amino)-1-propynyl)-2-methylcyclohexanol hydrochloride?
You can request a quote for 1-(3-(Bis(2-chloroethyl)amino)-1-propynyl)-2-methylcyclohexanol hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-(Bis(2-chloroethyl)amino)-1-propynyl)-2-methylcyclohexanol hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-(Bis(2-chloroethyl)amino)-1-propynyl)-2-methylcyclohexanol hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.