Pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 6-(3-(dimethylamino)propyl)-4,5,6,7-tetrahydro-, dihydrochloride, hydrate
TL;DR: Pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 6-(3-(dimethylamino)propyl)-4,5,6,7-tetrahydro-, dihydrochloride, hydrate (CAS 28740-96-7) is a chemical compound with molecular formula C16H25Cl2N3 and molecular weight 329.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,10-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-10-yl)-N,N-dimethylpropan-1-amine;dihydrochloride
Also Known As: Pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 6-(3-(dimethylamino)propyl)-4,5,6,7-tetrahydro-, dihydrochloride, hydrate, 3-(3,4-Dihydro[1,4]diazepino[6,7,1-hi]indol-2(1H)-yl)-N,N-dimethylpropan-1-amine--hydrogen chloride (1/2), RefChem:378260
| Molecular Formula | C16H25Cl2N3 |
|---|---|
| Molecular Weight | 329.14 g/mol |
| LogP | 3.2522 |
| Topological Polar Surface Area | 11.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 329.14255 |
| Heavy Atoms | 21 |
| Complexity | 292.0 |
Chemical Identifiers
| CAS Number | 28740-96-7 |
|---|---|
| SMILES | CN(C)CCCN1CCN2C=CC3=C2C(=CC=C3)C1.Cl.Cl |
| InChIKey | LTWAWTQOZBNKNO-UHFFFAOYSA-N |
Product Overview
Pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 6-(3-(dimethylamino)propyl)-4,5,6,7-tetrahydro-, dihydrochloride, hydrate (CAS 28740-96-7), with molecular formula C16H25Cl2N3 and molecular weight 329.14 g/mol. IUPAC: 3-(1,10-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-10-yl)-N,N-dimethylpropan-1-amine;dihydrochloride.
Chemical Property Profile of Pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 6-(3-(dimethylamino)propyl)-4,5,6,7-tetrahydro-, dihydrochloride, hydrate
Property Insights of Pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 6-(3-(dimethylamino)propyl)-4,5,6,7-tetrahydro-, dihydrochloride, hydrate
The XLogP value of 3.2522 indicates that Pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 6-(3-(dimethylamino)propyl)-4,5,6,7-tetrahydro-, dihydrochloride, hydrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 11.4 Ų, Pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 6-(3-(dimethylamino)propyl)-4,5,6,7-tetrahydro-, dihydrochloride, hydrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 6-(3-(dimethylamino)propyl)-4,5,6,7-tetrahydro-, dihydrochloride, hydrate has 2 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 Pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 6-(3-(dimethylamino)propyl)-4,5,6,7-tetrahydro-, dihydrochloride, hydrate?
The CAS number of Pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 6-(3-(dimethylamino)propyl)-4,5,6,7-tetrahydro-, dihydrochloride, hydrate is 28740-96-7.
What is the molecular formula of Pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 6-(3-(dimethylamino)propyl)-4,5,6,7-tetrahydro-, dihydrochloride, hydrate?
The molecular formula of Pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 6-(3-(dimethylamino)propyl)-4,5,6,7-tetrahydro-, dihydrochloride, hydrate is C16H25Cl2N3.
What is the molecular weight of Pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 6-(3-(dimethylamino)propyl)-4,5,6,7-tetrahydro-, dihydrochloride, hydrate?
The molecular weight of Pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 6-(3-(dimethylamino)propyl)-4,5,6,7-tetrahydro-, dihydrochloride, hydrate is 329.14 g/mol.
Where can I buy Pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 6-(3-(dimethylamino)propyl)-4,5,6,7-tetrahydro-, dihydrochloride, hydrate?
You can request a quote for Pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 6-(3-(dimethylamino)propyl)-4,5,6,7-tetrahydro-, dihydrochloride, hydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 6-(3-(dimethylamino)propyl)-4,5,6,7-tetrahydro-, dihydrochloride, hydrate?
Yes, KEHONG BIO provides custom synthesis services for Pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 6-(3-(dimethylamino)propyl)-4,5,6,7-tetrahydro-, dihydrochloride, hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.