Phosphoric acid, 2-(bis(2-chloroethyl)amino)ethyl dibutyl ester, hydrochloride
TL;DR: Phosphoric acid, 2-(bis(2-chloroethyl)amino)ethyl dibutyl ester, hydrochloride (CAS 64398-13-6) is a chemical compound with molecular formula C14H31Cl3NO4P and molecular weight 413.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[bis(2-chloroethyl)amino]ethyl dibutyl phosphate;hydrochloride
Also Known As: Phosphoric acid, 2-(bis(2-chloroethyl)amino)ethyl dibutyl ester, hydrochloride, Phosphoric acid, 2-(bis(2-chloroethyl)amino)ethyl dibutyl ester,hydrochloride, 2-[bis(2-chloroethyl)amino]ethyl dibutyl phosphate hydrochloride, 2-[Bis(2-chloroethyl)amino]ethyl dibutyl phosphate--hydrogen chloride (1/1), Phosphoric acid, 2-[bis(2-chloroethyl)amino]ethyl dibutyl ester, hydrochloride
| Molecular Formula | C14H31Cl3NO4P |
|---|---|
| Molecular Weight | 413.11 g/mol |
| LogP | 4.9459 |
| Topological Polar Surface Area | 48.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 16 |
| Exact Mass | 413.10562 |
| Heavy Atoms | 23 |
| Complexity | 278.0 |
Chemical Identifiers
| CAS Number | 64398-13-6 |
|---|---|
| SMILES | CCCCOP(=O)(OCCCC)OCCN(CCCl)CCCl.Cl |
| InChIKey | QIBCTRBAKMVPEF-UHFFFAOYSA-N |
Product Overview
Phosphoric acid, 2-(bis(2-chloroethyl)amino)ethyl dibutyl ester, hydrochloride (CAS 64398-13-6), with molecular formula C14H31Cl3NO4P and molecular weight 413.11 g/mol. IUPAC: 2-[bis(2-chloroethyl)amino]ethyl dibutyl phosphate;hydrochloride.
Chemical Property Profile of Phosphoric acid, 2-(bis(2-chloroethyl)amino)ethyl dibutyl ester, hydrochloride
Property Insights of Phosphoric acid, 2-(bis(2-chloroethyl)amino)ethyl dibutyl ester, hydrochloride
The XLogP value of 4.9459 indicates that Phosphoric acid, 2-(bis(2-chloroethyl)amino)ethyl dibutyl ester, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.0 Ų, Phosphoric acid, 2-(bis(2-chloroethyl)amino)ethyl dibutyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphoric acid, 2-(bis(2-chloroethyl)amino)ethyl dibutyl ester, hydrochloride has 1 hydrogen bond donor(s) and 5 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 Phosphoric acid, 2-(bis(2-chloroethyl)amino)ethyl dibutyl ester, hydrochloride?
The CAS number of Phosphoric acid, 2-(bis(2-chloroethyl)amino)ethyl dibutyl ester, hydrochloride is 64398-13-6.
What is the molecular formula of Phosphoric acid, 2-(bis(2-chloroethyl)amino)ethyl dibutyl ester, hydrochloride?
The molecular formula of Phosphoric acid, 2-(bis(2-chloroethyl)amino)ethyl dibutyl ester, hydrochloride is C14H31Cl3NO4P.
What is the molecular weight of Phosphoric acid, 2-(bis(2-chloroethyl)amino)ethyl dibutyl ester, hydrochloride?
The molecular weight of Phosphoric acid, 2-(bis(2-chloroethyl)amino)ethyl dibutyl ester, hydrochloride is 413.11 g/mol.
Where can I buy Phosphoric acid, 2-(bis(2-chloroethyl)amino)ethyl dibutyl ester, hydrochloride?
You can request a quote for Phosphoric acid, 2-(bis(2-chloroethyl)amino)ethyl dibutyl ester, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphoric acid, 2-(bis(2-chloroethyl)amino)ethyl dibutyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Phosphoric acid, 2-(bis(2-chloroethyl)amino)ethyl dibutyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.