Benzenepropanamide, 4-(bis(2-chloroethyl)amino)-alpha-cyano-N-(3-(hydroxymethyl)-1,5-dioxaspiro(5,5)undec-3-yl)-
TL;DR: Benzenepropanamide, 4-(bis(2-chloroethyl)amino)-alpha-cyano-N-(3-(hydroxymethyl)-1,5-dioxaspiro(5,5)undec-3-yl)- (CAS 76727-00-9) is a chemical compound with molecular formula C24H33Cl2N3O4 and molecular weight 497.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-[bis(2-chloroethyl)amino]phenyl]-2-cyano-N-[3-(hydroxymethyl)-1,5-dioxaspiro[5.5]undecan-3-yl]propanamide
Also Known As: Benzenepropanamide, 4-(bis(2-chloroethyl)amino)-alpha-cyano-N-(3-(hydroxymethyl)-1,5-dioxaspiro(5,5)undec-3-yl)-, 3-[4-[bis(2-chloroethyl)amino]phenyl]-2-cyano-N-[9-(hydroxymethyl)-7,11-dioxaspiro[5.5]undecan-9-yl]propanamide, 3-{4-[Bis(2-chloroethyl)amino]phenyl}-2-cyano-N-[3-(hydroxymethyl)-1,5-dioxaspiro[5.5]undecan-3-yl]propanimidic acid, RefChem:325078
| Molecular Formula | C24H33Cl2N3O4 |
|---|---|
| Molecular Weight | 497.18 g/mol |
| LogP | 3.20738 |
| Topological Polar Surface Area | 94.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 497.1848 |
| Heavy Atoms | 33 |
| Complexity | 792.9225 |
Chemical Identifiers
| CAS Number | 76727-00-9 |
|---|---|
| SMILES | C1CCC2(CC1)OCC(CO2)(CO)NC(=O)C(CC3=CC=C(C=C3)N(CCCl)CCCl)C#N |
Product Overview
Benzenepropanamide, 4-(bis(2-chloroethyl)amino)-alpha-cyano-N-(3-(hydroxymethyl)-1,5-dioxaspiro(5,5)undec-3-yl)- (CAS 76727-00-9), with molecular formula C24H33Cl2N3O4 and molecular weight 497.18 g/mol. IUPAC: 3-[4-[bis(2-chloroethyl)amino]phenyl]-2-cyano-N-[3-(hydroxymethyl)-1,5-dioxaspiro[5.5]undecan-3-yl]propanamide.
Chemical Property Profile of Benzenepropanamide, 4-(bis(2-chloroethyl)amino)-alpha-cyano-N-(3-(hydroxymethyl)-1,5-dioxaspiro(5,5)undec-3-yl)-
Property Insights of Benzenepropanamide, 4-(bis(2-chloroethyl)amino)-alpha-cyano-N-(3-(hydroxymethyl)-1,5-dioxaspiro(5,5)undec-3-yl)-
The XLogP value of 3.20738 indicates that Benzenepropanamide, 4-(bis(2-chloroethyl)amino)-alpha-cyano-N-(3-(hydroxymethyl)-1,5-dioxaspiro(5,5)undec-3-yl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.82 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenepropanamide, 4-(bis(2-chloroethyl)amino)-alpha-cyano-N-(3-(hydroxymethyl)-1,5-dioxaspiro(5,5)undec-3-yl)-. Following Lipinski's Rule of Five, Benzenepropanamide, 4-(bis(2-chloroethyl)amino)-alpha-cyano-N-(3-(hydroxymethyl)-1,5-dioxaspiro(5,5)undec-3-yl)- has 2 hydrogen bond donor(s) and 6 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 Benzenepropanamide, 4-(bis(2-chloroethyl)amino)-alpha-cyano-N-(3-(hydroxymethyl)-1,5-dioxaspiro(5,5)undec-3-yl)-?
The CAS number of Benzenepropanamide, 4-(bis(2-chloroethyl)amino)-alpha-cyano-N-(3-(hydroxymethyl)-1,5-dioxaspiro(5,5)undec-3-yl)- is 76727-00-9.
What is the molecular formula of Benzenepropanamide, 4-(bis(2-chloroethyl)amino)-alpha-cyano-N-(3-(hydroxymethyl)-1,5-dioxaspiro(5,5)undec-3-yl)-?
The molecular formula of Benzenepropanamide, 4-(bis(2-chloroethyl)amino)-alpha-cyano-N-(3-(hydroxymethyl)-1,5-dioxaspiro(5,5)undec-3-yl)- is C24H33Cl2N3O4.
What is the molecular weight of Benzenepropanamide, 4-(bis(2-chloroethyl)amino)-alpha-cyano-N-(3-(hydroxymethyl)-1,5-dioxaspiro(5,5)undec-3-yl)-?
The molecular weight of Benzenepropanamide, 4-(bis(2-chloroethyl)amino)-alpha-cyano-N-(3-(hydroxymethyl)-1,5-dioxaspiro(5,5)undec-3-yl)- is 497.18 g/mol.
Where can I buy Benzenepropanamide, 4-(bis(2-chloroethyl)amino)-alpha-cyano-N-(3-(hydroxymethyl)-1,5-dioxaspiro(5,5)undec-3-yl)-?
You can request a quote for Benzenepropanamide, 4-(bis(2-chloroethyl)amino)-alpha-cyano-N-(3-(hydroxymethyl)-1,5-dioxaspiro(5,5)undec-3-yl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenepropanamide, 4-(bis(2-chloroethyl)amino)-alpha-cyano-N-(3-(hydroxymethyl)-1,5-dioxaspiro(5,5)undec-3-yl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzenepropanamide, 4-(bis(2-chloroethyl)amino)-alpha-cyano-N-(3-(hydroxymethyl)-1,5-dioxaspiro(5,5)undec-3-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.