2-Heptyn-4-ol, 1-(bis(2-chloroethyl)amino)-4-methyl-, hydrochloride
TL;DR: 2-Heptyn-4-ol, 1-(bis(2-chloroethyl)amino)-4-methyl-, hydrochloride (CAS 40415-91-6) is a chemical compound with molecular formula C12H22Cl3NO and molecular weight 301.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2-chloroethyl)-(4-hydroxy-4-methylhept-2-ynyl)azanium chloride
Also Known As: 4-Methyl-1-(bis(2-chloroethyl)amino)-2-heptyn-4-ol hydrochloride, 2-HEPTYN-4-OL, 1-(BIS(2-CHLOROETHYL)AMINO)-4-METHYL-, HYDROCHLORIDE, bis(2-chloroethyl)-(4-hydroxy-4-methylhept-2-ynyl)azanium chloride, RefChem:261401
| Molecular Formula | C12H22Cl3NO |
|---|---|
| Molecular Weight | 301.08 g/mol |
| LogP | -2.09 |
| Topological Polar Surface Area | 24.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 301.0767 |
| Heavy Atoms | 17 |
| Complexity | 240.0 |
Chemical Identifiers
| CAS Number | 40415-91-6 |
|---|---|
| SMILES | CCCC(C)(C#CC[NH+](CCCl)CCCl)O.[Cl-] |
| InChIKey | JIXYJVFGTQOQCK-UHFFFAOYSA-N |
Product Overview
2-Heptyn-4-ol, 1-(bis(2-chloroethyl)amino)-4-methyl-, hydrochloride (CAS 40415-91-6), with molecular formula C12H22Cl3NO and molecular weight 301.08 g/mol. IUPAC: bis(2-chloroethyl)-(4-hydroxy-4-methylhept-2-ynyl)azanium chloride.
Chemical Property Profile of 2-Heptyn-4-ol, 1-(bis(2-chloroethyl)amino)-4-methyl-, hydrochloride
Property Insights of 2-Heptyn-4-ol, 1-(bis(2-chloroethyl)amino)-4-methyl-, hydrochloride
The XLogP value of -2.09 indicates that 2-Heptyn-4-ol, 1-(bis(2-chloroethyl)amino)-4-methyl-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 24.7 Ų, 2-Heptyn-4-ol, 1-(bis(2-chloroethyl)amino)-4-methyl-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Heptyn-4-ol, 1-(bis(2-chloroethyl)amino)-4-methyl-, 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 2-Heptyn-4-ol, 1-(bis(2-chloroethyl)amino)-4-methyl-, hydrochloride?
The CAS number of 2-Heptyn-4-ol, 1-(bis(2-chloroethyl)amino)-4-methyl-, hydrochloride is 40415-91-6.
What is the molecular formula of 2-Heptyn-4-ol, 1-(bis(2-chloroethyl)amino)-4-methyl-, hydrochloride?
The molecular formula of 2-Heptyn-4-ol, 1-(bis(2-chloroethyl)amino)-4-methyl-, hydrochloride is C12H22Cl3NO.
What is the molecular weight of 2-Heptyn-4-ol, 1-(bis(2-chloroethyl)amino)-4-methyl-, hydrochloride?
The molecular weight of 2-Heptyn-4-ol, 1-(bis(2-chloroethyl)amino)-4-methyl-, hydrochloride is 301.08 g/mol.
Where can I buy 2-Heptyn-4-ol, 1-(bis(2-chloroethyl)amino)-4-methyl-, hydrochloride?
You can request a quote for 2-Heptyn-4-ol, 1-(bis(2-chloroethyl)amino)-4-methyl-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Heptyn-4-ol, 1-(bis(2-chloroethyl)amino)-4-methyl-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 2-Heptyn-4-ol, 1-(bis(2-chloroethyl)amino)-4-methyl-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.