7-((Dimethylamino)methyl)-3,4-dihydropyrrolo(3,2,1-jk)(1,4)benzodiazepin-1(2H)-one
TL;DR: 7-((Dimethylamino)methyl)-3,4-dihydropyrrolo(3,2,1-jk)(1,4)benzodiazepin-1(2H)-one (CAS 32809-21-5) is a chemical compound with molecular formula C14H17N3O and molecular weight 243.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(dimethylamino)methyl]-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-9-one
Also Known As: 7-((Dimethylamino)methyl)-3,4-dihydropyrrolo(3,2,1-jk)(1,4)benzodiazepin-1(2H)-one, Pyrrolo(3,2,1-jk)(1,4)benzodiazepin-1(2H)-one, 3,4-dihydro-7-((dimethylamino)methyl)-, 7-[(dimethylamino)methyl]-3,4-dihydro[1,4]diazepino[6,7,1-hi]indol-1(2h)-one, 3,4-Dihydro-7-[ methyl]pyrrolo[3,2,1-jk][1,4]benzodiazepin-1 -one, 3,4-dihydro-7-[methyl]pyrrolo[3,2,1-jk][1,4]benzodiazepin-1 -one
| Molecular Formula | C14H17N3O |
|---|---|
| Molecular Weight | 243.14 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 243.13716 |
| Heavy Atoms | 18 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 32809-21-5 |
|---|---|
| SMILES | CN(C)CC1=CN2CCNC(=O)C3=CC=CC1=C32 |
| InChIKey | AWCJWBMPKPFWSK-UHFFFAOYSA-N |
Product Overview
7-((Dimethylamino)methyl)-3,4-dihydropyrrolo(3,2,1-jk)(1,4)benzodiazepin-1(2H)-one (CAS 32809-21-5), with molecular formula C14H17N3O and molecular weight 243.14 g/mol. IUPAC: 3-[(dimethylamino)methyl]-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-9-one.
Chemical Property Profile of 7-((Dimethylamino)methyl)-3,4-dihydropyrrolo(3,2,1-jk)(1,4)benzodiazepin-1(2H)-one
Property Insights of 7-((Dimethylamino)methyl)-3,4-dihydropyrrolo(3,2,1-jk)(1,4)benzodiazepin-1(2H)-one
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-((Dimethylamino)methyl)-3,4-dihydropyrrolo(3,2,1-jk)(1,4)benzodiazepin-1(2H)-one. With a topological polar surface area (TPSA) of 37.3 Ų, 7-((Dimethylamino)methyl)-3,4-dihydropyrrolo(3,2,1-jk)(1,4)benzodiazepin-1(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-((Dimethylamino)methyl)-3,4-dihydropyrrolo(3,2,1-jk)(1,4)benzodiazepin-1(2H)-one has 1 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 7-((Dimethylamino)methyl)-3,4-dihydropyrrolo(3,2,1-jk)(1,4)benzodiazepin-1(2H)-one?
The CAS number of 7-((Dimethylamino)methyl)-3,4-dihydropyrrolo(3,2,1-jk)(1,4)benzodiazepin-1(2H)-one is 32809-21-5.
What is the molecular formula of 7-((Dimethylamino)methyl)-3,4-dihydropyrrolo(3,2,1-jk)(1,4)benzodiazepin-1(2H)-one?
The molecular formula of 7-((Dimethylamino)methyl)-3,4-dihydropyrrolo(3,2,1-jk)(1,4)benzodiazepin-1(2H)-one is C14H17N3O.
What is the molecular weight of 7-((Dimethylamino)methyl)-3,4-dihydropyrrolo(3,2,1-jk)(1,4)benzodiazepin-1(2H)-one?
The molecular weight of 7-((Dimethylamino)methyl)-3,4-dihydropyrrolo(3,2,1-jk)(1,4)benzodiazepin-1(2H)-one is 243.14 g/mol.
Where can I buy 7-((Dimethylamino)methyl)-3,4-dihydropyrrolo(3,2,1-jk)(1,4)benzodiazepin-1(2H)-one?
You can request a quote for 7-((Dimethylamino)methyl)-3,4-dihydropyrrolo(3,2,1-jk)(1,4)benzodiazepin-1(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-((Dimethylamino)methyl)-3,4-dihydropyrrolo(3,2,1-jk)(1,4)benzodiazepin-1(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 7-((Dimethylamino)methyl)-3,4-dihydropyrrolo(3,2,1-jk)(1,4)benzodiazepin-1(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.