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N-benzyl-4-{4-[bis(2-chloroethyl)amino]phenyl}butanamide
TL;DR: N-benzyl-4-{4-[bis(2-chloroethyl)amino]phenyl}butanamide (CAS 118790-76-4) is a chemical compound with molecular formula C21H26Cl2N2O and molecular weight 392.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-4-[4-[bis(2-chloroethyl)amino]phenyl]butanamide
Also Known As: Benzenebutanamide, N-(phenylmethyl)-4-bis(2-chloro- ethyl)amino]-, N-benzyl-4-[4-[bis(2-chloroethyl)amino]phenyl]butanamide, N-benzyl-4-{4-[bis(2-chloroethyl)amino]phenyl}butanamide, 4-[Bis(2-chloroethyl)amino]-N-(phenylmethyl)benzenebutanamide, Benzenebutanamide, N-(phenylmethyl)-4-bis(2-chloro-ethyl)amino]-
| Molecular Formula | C21H26Cl2N2O |
|---|---|
| Molecular Weight | 392.14 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 32.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 11 |
| Exact Mass | 392.1422 |
| Heavy Atoms | 26 |
| Complexity | 374.0 |
Chemical Identifiers
| CAS Number | 118790-76-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(=O)CCCC2=CC=C(C=C2)N(CCCl)CCCl |
| InChIKey | OJZUKCOMYQAOMB-UHFFFAOYSA-N |
Product Overview
N-benzyl-4-{4-[bis(2-chloroethyl)amino]phenyl}butanamide (CAS 118790-76-4), with molecular formula C21H26Cl2N2O and molecular weight 392.14 g/mol. IUPAC: N-benzyl-4-[4-[bis(2-chloroethyl)amino]phenyl]butanamide.
Chemical Property Profile of N-benzyl-4-{4-[bis(2-chloroethyl)amino]phenyl}butanamide
Property Insights of N-benzyl-4-{4-[bis(2-chloroethyl)amino]phenyl}butanamide
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-benzyl-4-{4-[bis(2-chloroethyl)amino]phenyl}butanamide. With a topological polar surface area (TPSA) of 32.3 Ų, N-benzyl-4-{4-[bis(2-chloroethyl)amino]phenyl}butanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-benzyl-4-{4-[bis(2-chloroethyl)amino]phenyl}butanamide 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 N-benzyl-4-{4-[bis(2-chloroethyl)amino]phenyl}butanamide?
The CAS number of N-benzyl-4-{4-[bis(2-chloroethyl)amino]phenyl}butanamide is 118790-76-4.
What is the molecular formula of N-benzyl-4-{4-[bis(2-chloroethyl)amino]phenyl}butanamide?
The molecular formula of N-benzyl-4-{4-[bis(2-chloroethyl)amino]phenyl}butanamide is C21H26Cl2N2O.
What is the molecular weight of N-benzyl-4-{4-[bis(2-chloroethyl)amino]phenyl}butanamide?
The molecular weight of N-benzyl-4-{4-[bis(2-chloroethyl)amino]phenyl}butanamide is 392.14 g/mol.
Where can I buy N-benzyl-4-{4-[bis(2-chloroethyl)amino]phenyl}butanamide?
You can request a quote for N-benzyl-4-{4-[bis(2-chloroethyl)amino]phenyl}butanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-benzyl-4-{4-[bis(2-chloroethyl)amino]phenyl}butanamide?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-4-{4-[bis(2-chloroethyl)amino]phenyl}butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.