![N-[(Z)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]- structure](/static/products/980/980-44-9.png)
N-[(Z)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-
TL;DR: N-[(Z)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]- (CAS 980-44-9) is a chemical compound with molecular formula C18H21Cl2N3O2S and molecular weight 413.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-4-methylbenzenesulfonamide
Also Known As: N-[(Z)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-, N-[[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-4-methylbenzenesulfonamide
| Molecular Formula | C18H21Cl2N3O2S |
|---|---|
| Molecular Weight | 413.07 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 70.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 413.07315 |
| Heavy Atoms | 26 |
| Complexity | 517.0 |
Chemical Identifiers
| CAS Number | 980-44-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NN=CC2=CC=C(C=C2)N(CCCl)CCCl |
| InChIKey | ALCSCBFXIKXBRP-UHFFFAOYSA-N |
Product Overview
N-[(Z)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]- (CAS 980-44-9), with molecular formula C18H21Cl2N3O2S and molecular weight 413.07 g/mol. IUPAC: N-[[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-4-methylbenzenesulfonamide.
Chemical Property Profile of N-[(Z)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-
Property Insights of N-[(Z)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-
The XLogP value of 4.2 indicates that N-[(Z)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.2 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(Z)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-. Following Lipinski's Rule of Five, N-[(Z)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]- 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 N-[(Z)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-?
The CAS number of N-[(Z)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]- is 980-44-9.
What is the molecular formula of N-[(Z)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-?
The molecular formula of N-[(Z)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]- is C18H21Cl2N3O2S.
What is the molecular weight of N-[(Z)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-?
The molecular weight of N-[(Z)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]- is 413.07 g/mol.
Where can I buy N-[(Z)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-?
You can request a quote for N-[(Z)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(Z)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-?
Yes, KEHONG BIO provides custom synthesis services for N-[(Z)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.