6-(N,S-Dimethyl-N'-cyanoisothioureidomethyl)-6,11-dihydro-5H-dibenz(b,e)azepine
TL;DR: 6-(N,S-Dimethyl-N'-cyanoisothioureidomethyl)-6,11-dihydro-5H-dibenz(b,e)azepine (CAS 144332-32-1) is a chemical compound with molecular formula C19H21ClN4S and molecular weight 372.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N'-cyano-N-(6,11-dihydro-5H-benzo[c][1]benzazepin-6-ylmethyl)-N-methylcarbamimidothioate;hydrochloride
Also Known As: Fran 12, 6-(N,S-Dimethyl-N'-cyanoisothioureidomethyl)-6,11-dihydro-5H-dibenz(b,e)azepine, Carbamimidothioic acid, N'-cyano-N-((6,11-dihydro-5H-dibenz(b,e)azepin-6-yl)methyl)-N-methyl-, methyl ester, monohydrochloride, methyl N'-cyano-N-(6,11-dihydro-5H-benzo[c][1]benzazepin-6-ylmethyl)-N-methylcarbamimidothioate hydrochloride, methyl N'-cyano-N-(6,11-dihydro-5H-benzo[c][1]benzazepin-6-ylmethyl)-N-methylcarbamimidothioate;hydrochloride
| Molecular Formula | C19H21ClN4S |
|---|---|
| Molecular Weight | 372.12 g/mol |
| LogP | 4.29768 |
| Topological Polar Surface Area | 76.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 372.11755 |
| Heavy Atoms | 25 |
| Complexity | 497.0 |
Chemical Identifiers
| CAS Number | 144332-32-1 |
|---|---|
| SMILES | CN(CC1C2=CC=CC=C2CC3=CC=CC=C3N1)C(=NC#N)SC.Cl |
| InChIKey | SXUWUWKJIWJESU-UHFFFAOYSA-N |
Product Overview
6-(N,S-Dimethyl-N'-cyanoisothioureidomethyl)-6,11-dihydro-5H-dibenz(b,e)azepine (CAS 144332-32-1), with molecular formula C19H21ClN4S and molecular weight 372.12 g/mol. IUPAC: methyl N'-cyano-N-(6,11-dihydro-5H-benzo[c][1]benzazepin-6-ylmethyl)-N-methylcarbamimidothioate;hydrochloride.
Chemical Property Profile of 6-(N,S-Dimethyl-N'-cyanoisothioureidomethyl)-6,11-dihydro-5H-dibenz(b,e)azepine
Property Insights of 6-(N,S-Dimethyl-N'-cyanoisothioureidomethyl)-6,11-dihydro-5H-dibenz(b,e)azepine
The XLogP value of 4.29768 indicates that 6-(N,S-Dimethyl-N'-cyanoisothioureidomethyl)-6,11-dihydro-5H-dibenz(b,e)azepine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(N,S-Dimethyl-N'-cyanoisothioureidomethyl)-6,11-dihydro-5H-dibenz(b,e)azepine. Following Lipinski's Rule of Five, 6-(N,S-Dimethyl-N'-cyanoisothioureidomethyl)-6,11-dihydro-5H-dibenz(b,e)azepine has 2 hydrogen bond donor(s) and 4 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 6-(N,S-Dimethyl-N'-cyanoisothioureidomethyl)-6,11-dihydro-5H-dibenz(b,e)azepine?
The CAS number of 6-(N,S-Dimethyl-N'-cyanoisothioureidomethyl)-6,11-dihydro-5H-dibenz(b,e)azepine is 144332-32-1.
What is the molecular formula of 6-(N,S-Dimethyl-N'-cyanoisothioureidomethyl)-6,11-dihydro-5H-dibenz(b,e)azepine?
The molecular formula of 6-(N,S-Dimethyl-N'-cyanoisothioureidomethyl)-6,11-dihydro-5H-dibenz(b,e)azepine is C19H21ClN4S.
What is the molecular weight of 6-(N,S-Dimethyl-N'-cyanoisothioureidomethyl)-6,11-dihydro-5H-dibenz(b,e)azepine?
The molecular weight of 6-(N,S-Dimethyl-N'-cyanoisothioureidomethyl)-6,11-dihydro-5H-dibenz(b,e)azepine is 372.12 g/mol.
Where can I buy 6-(N,S-Dimethyl-N'-cyanoisothioureidomethyl)-6,11-dihydro-5H-dibenz(b,e)azepine?
You can request a quote for 6-(N,S-Dimethyl-N'-cyanoisothioureidomethyl)-6,11-dihydro-5H-dibenz(b,e)azepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(N,S-Dimethyl-N'-cyanoisothioureidomethyl)-6,11-dihydro-5H-dibenz(b,e)azepine?
Yes, KEHONG BIO provides custom synthesis services for 6-(N,S-Dimethyl-N'-cyanoisothioureidomethyl)-6,11-dihydro-5H-dibenz(b,e)azepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.