![N,N-bis(2-chloroethyl)-4-[2-cyano-2-(2,3-dihydro-1H-1,3-benzodiazol-2-ylidene)acetyl]benzene-1-sulfonamide structure](/static/products/329/329903-35-7.png)
N,N-bis(2-chloroethyl)-4-[2-cyano-2-(2,3-dihydro-1H-1,3-benzodiazol-2-ylidene)acetyl]benzene-1-sulfonamide
TL;DR: N,N-bis(2-chloroethyl)-4-[2-cyano-2-(2,3-dihydro-1H-1,3-benzodiazol-2-ylidene)acetyl]benzene-1-sulfonamide (CAS 329903-35-7) is a chemical compound with molecular formula C20H18Cl2N4O3S and molecular weight 464.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(1H-benzimidazol-2-yl)-2-cyano-1-hydroxyethenyl]-N,N-bis(2-chloroethyl)benzenesulfonamide
Also Known As: N,N-bis(2-chloroethyl)-4-[2-cyano-2-(2,3-dihydro-1H-1,3-benzodiazol-2-ylidene)acetyl]benzene-1-sulfonamide
| Molecular Formula | C20H18Cl2N4O3S |
|---|---|
| Molecular Weight | 464.05 g/mol |
| LogP | 3.98108 |
| Topological Polar Surface Area | 110.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 464.04767 |
| Heavy Atoms | 30 |
| Complexity | 1175.8275 |
Chemical Identifiers
| CAS Number | 329903-35-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=N2)C(=C(C3=CC=C(C=C3)S(=O)(=O)N(CCCl)CCCl)O)C#N |
Product Overview
N,N-bis(2-chloroethyl)-4-[2-cyano-2-(2,3-dihydro-1H-1,3-benzodiazol-2-ylidene)acetyl]benzene-1-sulfonamide (CAS 329903-35-7), with molecular formula C20H18Cl2N4O3S and molecular weight 464.05 g/mol. IUPAC: 4-[2-(1H-benzimidazol-2-yl)-2-cyano-1-hydroxyethenyl]-N,N-bis(2-chloroethyl)benzenesulfonamide.
Chemical Property Profile of N,N-bis(2-chloroethyl)-4-[2-cyano-2-(2,3-dihydro-1H-1,3-benzodiazol-2-ylidene)acetyl]benzene-1-sulfonamide
Property Insights of N,N-bis(2-chloroethyl)-4-[2-cyano-2-(2,3-dihydro-1H-1,3-benzodiazol-2-ylidene)acetyl]benzene-1-sulfonamide
The XLogP value of 3.98108 indicates that N,N-bis(2-chloroethyl)-4-[2-cyano-2-(2,3-dihydro-1H-1,3-benzodiazol-2-ylidene)acetyl]benzene-1-sulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.08 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N-bis(2-chloroethyl)-4-[2-cyano-2-(2,3-dihydro-1H-1,3-benzodiazol-2-ylidene)acetyl]benzene-1-sulfonamide. Following Lipinski's Rule of Five, N,N-bis(2-chloroethyl)-4-[2-cyano-2-(2,3-dihydro-1H-1,3-benzodiazol-2-ylidene)acetyl]benzene-1-sulfonamide has 2 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,N-bis(2-chloroethyl)-4-[2-cyano-2-(2,3-dihydro-1H-1,3-benzodiazol-2-ylidene)acetyl]benzene-1-sulfonamide?
The CAS number of N,N-bis(2-chloroethyl)-4-[2-cyano-2-(2,3-dihydro-1H-1,3-benzodiazol-2-ylidene)acetyl]benzene-1-sulfonamide is 329903-35-7.
What is the molecular formula of N,N-bis(2-chloroethyl)-4-[2-cyano-2-(2,3-dihydro-1H-1,3-benzodiazol-2-ylidene)acetyl]benzene-1-sulfonamide?
The molecular formula of N,N-bis(2-chloroethyl)-4-[2-cyano-2-(2,3-dihydro-1H-1,3-benzodiazol-2-ylidene)acetyl]benzene-1-sulfonamide is C20H18Cl2N4O3S.
What is the molecular weight of N,N-bis(2-chloroethyl)-4-[2-cyano-2-(2,3-dihydro-1H-1,3-benzodiazol-2-ylidene)acetyl]benzene-1-sulfonamide?
The molecular weight of N,N-bis(2-chloroethyl)-4-[2-cyano-2-(2,3-dihydro-1H-1,3-benzodiazol-2-ylidene)acetyl]benzene-1-sulfonamide is 464.05 g/mol.
Where can I buy N,N-bis(2-chloroethyl)-4-[2-cyano-2-(2,3-dihydro-1H-1,3-benzodiazol-2-ylidene)acetyl]benzene-1-sulfonamide?
You can request a quote for N,N-bis(2-chloroethyl)-4-[2-cyano-2-(2,3-dihydro-1H-1,3-benzodiazol-2-ylidene)acetyl]benzene-1-sulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-bis(2-chloroethyl)-4-[2-cyano-2-(2,3-dihydro-1H-1,3-benzodiazol-2-ylidene)acetyl]benzene-1-sulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N,N-bis(2-chloroethyl)-4-[2-cyano-2-(2,3-dihydro-1H-1,3-benzodiazol-2-ylidene)acetyl]benzene-1-sulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.