3-(Bis(2-chloroethyl)amino)-3-(3-chlorophenyl)-2-propen-1-one
TL;DR: 3-(Bis(2-chloroethyl)amino)-3-(3-chlorophenyl)-2-propen-1-one (CAS 27972-17-4) is a chemical compound with molecular formula C13H14Cl3NO and molecular weight 305.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-3-[bis(2-chloroethyl)amino]-3-(3-chlorophenyl)prop-2-enal
Also Known As: 2-Propen-1-one,3-(bis -3- -, 2'-Deoxy-5-hydroxyuridine triphosphate, 3-(Bis(2-chloroethyl)amino)-3-(3-chlorophenyl)-2-propen-1-one, Acrylophenone, 3-[bis(2-chloroethyl)amino]-3'-chloro-, 2-Propen-1-one, 3-(bis(2-chloroethyl)amino)-3-(3-chlorophenyl)-
| Molecular Formula | C13H14Cl3NO |
|---|---|
| Molecular Weight | 305.01 g/mol |
| LogP | 3.6594 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 305.0141 |
| Heavy Atoms | 18 |
| Complexity | 414.4523 |
Chemical Identifiers
| CAS Number | 27972-17-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)/C(=C/C=O)/N(CCCl)CCCl |
Product Overview
3-(Bis(2-chloroethyl)amino)-3-(3-chlorophenyl)-2-propen-1-one (CAS 27972-17-4), with molecular formula C13H14Cl3NO and molecular weight 305.01 g/mol. IUPAC: (Z)-3-[bis(2-chloroethyl)amino]-3-(3-chlorophenyl)prop-2-enal.
Chemical Property Profile of 3-(Bis(2-chloroethyl)amino)-3-(3-chlorophenyl)-2-propen-1-one
Property Insights of 3-(Bis(2-chloroethyl)amino)-3-(3-chlorophenyl)-2-propen-1-one
The XLogP value of 3.6594 indicates that 3-(Bis(2-chloroethyl)amino)-3-(3-chlorophenyl)-2-propen-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.31 Ų, 3-(Bis(2-chloroethyl)amino)-3-(3-chlorophenyl)-2-propen-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Bis(2-chloroethyl)amino)-3-(3-chlorophenyl)-2-propen-1-one has 0 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 3-(Bis(2-chloroethyl)amino)-3-(3-chlorophenyl)-2-propen-1-one?
The CAS number of 3-(Bis(2-chloroethyl)amino)-3-(3-chlorophenyl)-2-propen-1-one is 27972-17-4.
What is the molecular formula of 3-(Bis(2-chloroethyl)amino)-3-(3-chlorophenyl)-2-propen-1-one?
The molecular formula of 3-(Bis(2-chloroethyl)amino)-3-(3-chlorophenyl)-2-propen-1-one is C13H14Cl3NO.
What is the molecular weight of 3-(Bis(2-chloroethyl)amino)-3-(3-chlorophenyl)-2-propen-1-one?
The molecular weight of 3-(Bis(2-chloroethyl)amino)-3-(3-chlorophenyl)-2-propen-1-one is 305.01 g/mol.
Where can I buy 3-(Bis(2-chloroethyl)amino)-3-(3-chlorophenyl)-2-propen-1-one?
You can request a quote for 3-(Bis(2-chloroethyl)amino)-3-(3-chlorophenyl)-2-propen-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Bis(2-chloroethyl)amino)-3-(3-chlorophenyl)-2-propen-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(Bis(2-chloroethyl)amino)-3-(3-chlorophenyl)-2-propen-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.