Cyclohexanecarboxylic acid, 4-(bis(2-chloroethyl)amino)-, hydrochloride
TL;DR: Cyclohexanecarboxylic acid, 4-(bis(2-chloroethyl)amino)-, hydrochloride (CAS 78431-97-7) is a chemical compound with molecular formula C11H20Cl3NO2 and molecular weight 303.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[bis(2-chloroethyl)amino]cyclohexane-1-carboxylic acid;hydrochloride
Also Known As: Cyclohexanecarboxylic acid, hydrochloride, Cyclohexanecarboxylic acid, 4-(bis(2-chloroethyl)amino)-, hydrochloride, 4-(Bis(2-chloroethyl)amino)cyclohexanecarboxylic acid hydrochloride, Cyclohexanecarboxylicacid, 4-[bis(2-chloroethyl)amino]-, hydrochloride (1:1), 4-[Bis-(2-chlor-aethyl)-amino]-cyclohexancarbonsaeure, hydrochlorid
| Molecular Formula | C11H20Cl3NO2 |
|---|---|
| Molecular Weight | 303.06 g/mol |
| LogP | 2.8312 |
| Topological Polar Surface Area | 40.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 303.05597 |
| Heavy Atoms | 17 |
| Complexity | 214.76208 |
Chemical Identifiers
| CAS Number | 78431-97-7 |
|---|---|
| SMILES | C1CC(CCC1C(=O)O)N(CCCl)CCCl.Cl |
Product Overview
Cyclohexanecarboxylic acid, 4-(bis(2-chloroethyl)amino)-, hydrochloride (CAS 78431-97-7), with molecular formula C11H20Cl3NO2 and molecular weight 303.06 g/mol. IUPAC: 4-[bis(2-chloroethyl)amino]cyclohexane-1-carboxylic acid;hydrochloride.
Chemical Property Profile of Cyclohexanecarboxylic acid, 4-(bis(2-chloroethyl)amino)-, hydrochloride
Property Insights of Cyclohexanecarboxylic acid, 4-(bis(2-chloroethyl)amino)-, hydrochloride
The XLogP value of 2.8312 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclohexanecarboxylic acid, 4-(bis(2-chloroethyl)amino)-, hydrochloride. With a topological polar surface area (TPSA) of 40.54 Ų, Cyclohexanecarboxylic acid, 4-(bis(2-chloroethyl)amino)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexanecarboxylic acid, 4-(bis(2-chloroethyl)amino)-, hydrochloride 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
Frequently Asked Questions
What is the CAS number of Cyclohexanecarboxylic acid, 4-(bis(2-chloroethyl)amino)-, hydrochloride?
The CAS number of Cyclohexanecarboxylic acid, 4-(bis(2-chloroethyl)amino)-, hydrochloride is 78431-97-7.
What is the molecular formula of Cyclohexanecarboxylic acid, 4-(bis(2-chloroethyl)amino)-, hydrochloride?
The molecular formula of Cyclohexanecarboxylic acid, 4-(bis(2-chloroethyl)amino)-, hydrochloride is C11H20Cl3NO2.
What is the molecular weight of Cyclohexanecarboxylic acid, 4-(bis(2-chloroethyl)amino)-, hydrochloride?
The molecular weight of Cyclohexanecarboxylic acid, 4-(bis(2-chloroethyl)amino)-, hydrochloride is 303.06 g/mol.
Where can I buy Cyclohexanecarboxylic acid, 4-(bis(2-chloroethyl)amino)-, hydrochloride?
You can request a quote for Cyclohexanecarboxylic acid, 4-(bis(2-chloroethyl)amino)-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexanecarboxylic acid, 4-(bis(2-chloroethyl)amino)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexanecarboxylic acid, 4-(bis(2-chloroethyl)amino)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.