3,3'-(P-Tosylimino)dipropionitrile
TL;DR: 3,3'-(P-Tosylimino)dipropionitrile (CAS 31540-75-7) is a chemical compound with molecular formula C13H15N3O2S and molecular weight 277.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-bis(2-cyanoethyl)-4-methylbenzenesulfonamide
Also Known As: CBKinase1_000111, CBKinase1_012511, 3,3'-(P-TOSYLIMINO)DIPROPIONITRILE, n,n-bis(2-cyanoethyl)-4-methylbenzenesulfonamide, N,N-Bis(2-cyanoethyl)-p-toluenesulfonamide
| Molecular Formula | C13H15N3O2S |
|---|---|
| Molecular Weight | 277.09 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 93.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 277.0885 |
| Heavy Atoms | 19 |
| Complexity | 449.0 |
Chemical Identifiers
| CAS Number | 31540-75-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N(CCC#N)CCC#N |
| InChIKey | QQEHNFXDLPBZSJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,3'-(P-Tosylimino)dipropionitrile (CAS 31540-75-7), with molecular formula C13H15N3O2S and molecular weight 277.09 g/mol. IUPAC: N,N-bis(2-cyanoethyl)-4-methylbenzenesulfonamide.
Chemical Property Profile of 3,3'-(P-Tosylimino)dipropionitrile
Property Insights of 3,3'-(P-Tosylimino)dipropionitrile
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3'-(P-Tosylimino)dipropionitrile. The TPSA of 93.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,3'-(P-Tosylimino)dipropionitrile. Following Lipinski's Rule of Five, 3,3'-(P-Tosylimino)dipropionitrile has 0 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 3,3'-(P-Tosylimino)dipropionitrile?
The CAS number of 3,3'-(P-Tosylimino)dipropionitrile is 31540-75-7.
What is the molecular formula of 3,3'-(P-Tosylimino)dipropionitrile?
The molecular formula of 3,3'-(P-Tosylimino)dipropionitrile is C13H15N3O2S.
What is the molecular weight of 3,3'-(P-Tosylimino)dipropionitrile?
The molecular weight of 3,3'-(P-Tosylimino)dipropionitrile is 277.09 g/mol.
Where can I buy 3,3'-(P-Tosylimino)dipropionitrile?
You can request a quote for 3,3'-(P-Tosylimino)dipropionitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3'-(P-Tosylimino)dipropionitrile?
Yes, KEHONG BIO provides custom synthesis services for 3,3'-(P-Tosylimino)dipropionitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.