Pyrrolo(3,2,1-jk)(1,4)benzodiazepin-1(2H)-one, 2-(2-(diethylamino)ethyl)-3,4-dihydro-, oxalate
TL;DR: Pyrrolo(3,2,1-jk)(1,4)benzodiazepin-1(2H)-one, 2-(2-(diethylamino)ethyl)-3,4-dihydro-, oxalate (CAS 28740-86-5) is a chemical compound with molecular formula C19H25N3O5 and molecular weight 375.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-[2-(diethylamino)ethyl]-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-9-one;oxalic acid
Also Known As: Pyrrolo(3,2,1-jk)(1,4)benzodiazepin-1(2H)-one, 2-(2-(diethylamino)ethyl)-3,4-dihydro-, oxalate, Pyrrolo(3,2,1-jk)(1,4)benzodiazepin-1(2H)-one, 3,4-dihydro-2-(2-diethylaminoethyl)-, oxalate, 2-(2-Diethylaminoethyl)-3,4-dihydropyrrolo(3,2,1-jk)(1,4)benzodiazepin-1(2H)-one oxalate, Oxalic acid--2-[2-(diethylamino)ethyl]-3,4-dihydro[1,4]diazepino[6,7,1-hi]indol-1(2H)-one (1/1), Pyrrolo[3,2,1-jk][1,4]benzodiazepin-1(2H)-one, 2-[2-(diethylamino)ethyl]-3,4-dihydro-, ethanedioate (1:1)
| Molecular Formula | C19H25N3O5 |
|---|---|
| Molecular Weight | 375.18 g/mol |
| LogP | 1.5945 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 375.1794 |
| Heavy Atoms | 27 |
| Complexity | 441.0 |
Chemical Identifiers
| CAS Number | 28740-86-5 |
|---|---|
| SMILES | CCN(CC)CCN1CCN2C=CC3=C2C(=CC=C3)C1=O.C(=O)(C(=O)O)O |
| InChIKey | RUZODBARHBURCZ-UHFFFAOYSA-N |
Product Overview
Pyrrolo(3,2,1-jk)(1,4)benzodiazepin-1(2H)-one, 2-(2-(diethylamino)ethyl)-3,4-dihydro-, oxalate (CAS 28740-86-5), with molecular formula C19H25N3O5 and molecular weight 375.18 g/mol. IUPAC: 10-[2-(diethylamino)ethyl]-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-9-one;oxalic acid.
Chemical Property Profile of Pyrrolo(3,2,1-jk)(1,4)benzodiazepin-1(2H)-one, 2-(2-(diethylamino)ethyl)-3,4-dihydro-, oxalate
Property Insights of Pyrrolo(3,2,1-jk)(1,4)benzodiazepin-1(2H)-one, 2-(2-(diethylamino)ethyl)-3,4-dihydro-, oxalate
The XLogP value of 1.5945 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrrolo(3,2,1-jk)(1,4)benzodiazepin-1(2H)-one, 2-(2-(diethylamino)ethyl)-3,4-dihydro-, oxalate. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrrolo(3,2,1-jk)(1,4)benzodiazepin-1(2H)-one, 2-(2-(diethylamino)ethyl)-3,4-dihydro-, oxalate. Following Lipinski's Rule of Five, Pyrrolo(3,2,1-jk)(1,4)benzodiazepin-1(2H)-one, 2-(2-(diethylamino)ethyl)-3,4-dihydro-, oxalate has 2 hydrogen bond donor(s) and 6 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)benzodiazepin-1(2H)-one, 2-(2-(diethylamino)ethyl)-3,4-dihydro-, oxalate?
The CAS number of Pyrrolo(3,2,1-jk)(1,4)benzodiazepin-1(2H)-one, 2-(2-(diethylamino)ethyl)-3,4-dihydro-, oxalate is 28740-86-5.
What is the molecular formula of Pyrrolo(3,2,1-jk)(1,4)benzodiazepin-1(2H)-one, 2-(2-(diethylamino)ethyl)-3,4-dihydro-, oxalate?
The molecular formula of Pyrrolo(3,2,1-jk)(1,4)benzodiazepin-1(2H)-one, 2-(2-(diethylamino)ethyl)-3,4-dihydro-, oxalate is C19H25N3O5.
What is the molecular weight of Pyrrolo(3,2,1-jk)(1,4)benzodiazepin-1(2H)-one, 2-(2-(diethylamino)ethyl)-3,4-dihydro-, oxalate?
The molecular weight of Pyrrolo(3,2,1-jk)(1,4)benzodiazepin-1(2H)-one, 2-(2-(diethylamino)ethyl)-3,4-dihydro-, oxalate is 375.18 g/mol.
Where can I buy Pyrrolo(3,2,1-jk)(1,4)benzodiazepin-1(2H)-one, 2-(2-(diethylamino)ethyl)-3,4-dihydro-, oxalate?
You can request a quote for Pyrrolo(3,2,1-jk)(1,4)benzodiazepin-1(2H)-one, 2-(2-(diethylamino)ethyl)-3,4-dihydro-, oxalate 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)benzodiazepin-1(2H)-one, 2-(2-(diethylamino)ethyl)-3,4-dihydro-, oxalate?
Yes, KEHONG BIO provides custom synthesis services for Pyrrolo(3,2,1-jk)(1,4)benzodiazepin-1(2H)-one, 2-(2-(diethylamino)ethyl)-3,4-dihydro-, oxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.