N-(Bis(2-chloraethyl)aminomethyl)-4-chlorbenzamid
TL;DR: N-(Bis(2-chloraethyl)aminomethyl)-4-chlorbenzamid (CAS 40478-15-7) is a chemical compound with molecular formula C20H24Cl3NO and molecular weight 399.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-bis(2-chlorophenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol;hydrochloride
Also Known As: N-(Bis(2-chloraethyl)aminomethyl)-4-chlorbenzamid, 1-Pyrrolidinepropanol, alpha,alpha-bis(o-chlorophenyl)-beta-methyl-, hydrochloride, o,o-Dichloro-alpha-(1-methyl-2-(pyrrolidinyl)ethyl)benzhydrol hydrochloride, 1,1-bis(2-chlorophenyl)-2-methyl-3-(pyrrolidin-1-yl)propan-1-ol hydrochloride(1:1), N-((Bis(2-chloroethyl)amino)methyl)-4-chlorobenzamide
| Molecular Formula | C20H24Cl3NO |
|---|---|
| Molecular Weight | 399.09 g/mol |
| LogP | 5.383 |
| Topological Polar Surface Area | 23.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 399.09235 |
| Heavy Atoms | 25 |
| Complexity | 377.0 |
Chemical Identifiers
| CAS Number | 40478-15-7 |
|---|---|
| SMILES | CC(CN1CCCC1)C(C2=CC=CC=C2Cl)(C3=CC=CC=C3Cl)O.Cl |
| InChIKey | AFBNALROZFAIFR-UHFFFAOYSA-N |
Product Overview
N-(Bis(2-chloraethyl)aminomethyl)-4-chlorbenzamid (CAS 40478-15-7), with molecular formula C20H24Cl3NO and molecular weight 399.09 g/mol. IUPAC: 1,1-bis(2-chlorophenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol;hydrochloride.
Chemical Property Profile of N-(Bis(2-chloraethyl)aminomethyl)-4-chlorbenzamid
Property Insights of N-(Bis(2-chloraethyl)aminomethyl)-4-chlorbenzamid
The XLogP value of 5.383 indicates that N-(Bis(2-chloraethyl)aminomethyl)-4-chlorbenzamid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.5 Ų, N-(Bis(2-chloraethyl)aminomethyl)-4-chlorbenzamid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(Bis(2-chloraethyl)aminomethyl)-4-chlorbenzamid has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(Bis(2-chloraethyl)aminomethyl)-4-chlorbenzamid?
The CAS number of N-(Bis(2-chloraethyl)aminomethyl)-4-chlorbenzamid is 40478-15-7.
What is the molecular formula of N-(Bis(2-chloraethyl)aminomethyl)-4-chlorbenzamid?
The molecular formula of N-(Bis(2-chloraethyl)aminomethyl)-4-chlorbenzamid is C20H24Cl3NO.
What is the molecular weight of N-(Bis(2-chloraethyl)aminomethyl)-4-chlorbenzamid?
The molecular weight of N-(Bis(2-chloraethyl)aminomethyl)-4-chlorbenzamid is 399.09 g/mol.
Where can I buy N-(Bis(2-chloraethyl)aminomethyl)-4-chlorbenzamid?
You can request a quote for N-(Bis(2-chloraethyl)aminomethyl)-4-chlorbenzamid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(Bis(2-chloraethyl)aminomethyl)-4-chlorbenzamid?
Yes, KEHONG BIO provides custom synthesis services for N-(Bis(2-chloraethyl)aminomethyl)-4-chlorbenzamid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.