Pyrrolo(1,2,3-ef)-1,5-benzodiazepin-2(1H)-one, 3,4-dihydro-1-(3-(diethylamino)propyl)-4,6-dimethyl-7-phenyl-, monohydrochloride
TL;DR: Pyrrolo(1,2,3-ef)-1,5-benzodiazepin-2(1H)-one, 3,4-dihydro-1-(3-(diethylamino)propyl)-4,6-dimethyl-7-phenyl-, monohydrochloride (CAS 122807-55-0) is a chemical compound with molecular formula C26H34ClN3O and molecular weight 439.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-[3-(diethylamino)propyl]-2,12-dimethyl-3-phenyl-1,9-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-10-one;hydrochloride
Also Known As: Pyrrolo(1,2,3-ef)-1,5-benzodiazepin-2(1H)-one, 3,4-dihydro-1-(3-(diethylamino)propyl)-4,6-dimethyl-7-phenyl-, monohydrochloride, 1-[3-(Diethylamino)propyl]-4,6-dimethyl-7-phenyl-3,4-dihydro[1,4]diazepino[3,2,1-hi]indol-2(1H)-one--hydrogen chloride (1/1), RefChem:378181
| Molecular Formula | C26H34ClN3O |
|---|---|
| Molecular Weight | 439.24 g/mol |
| LogP | 6.06812 |
| Topological Polar Surface Area | 28.48 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 439.23904 |
| Heavy Atoms | 31 |
| Complexity | 1039.7367 |
Chemical Identifiers
| CAS Number | 122807-55-0 |
|---|---|
| SMILES | CCN(CC)CCCN1C(=O)CC(N2C(=C(C3=C2C1=CC=C3)C4=CC=CC=C4)C)C.Cl |
Product Overview
Pyrrolo(1,2,3-ef)-1,5-benzodiazepin-2(1H)-one, 3,4-dihydro-1-(3-(diethylamino)propyl)-4,6-dimethyl-7-phenyl-, monohydrochloride (CAS 122807-55-0), with molecular formula C26H34ClN3O and molecular weight 439.24 g/mol. IUPAC: 9-[3-(diethylamino)propyl]-2,12-dimethyl-3-phenyl-1,9-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-10-one;hydrochloride.
Chemical Property Profile of Pyrrolo(1,2,3-ef)-1,5-benzodiazepin-2(1H)-one, 3,4-dihydro-1-(3-(diethylamino)propyl)-4,6-dimethyl-7-phenyl-, monohydrochloride
Property Insights of Pyrrolo(1,2,3-ef)-1,5-benzodiazepin-2(1H)-one, 3,4-dihydro-1-(3-(diethylamino)propyl)-4,6-dimethyl-7-phenyl-, monohydrochloride
The XLogP value of 6.06812 indicates that Pyrrolo(1,2,3-ef)-1,5-benzodiazepin-2(1H)-one, 3,4-dihydro-1-(3-(diethylamino)propyl)-4,6-dimethyl-7-phenyl-, monohydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.48 Ų, Pyrrolo(1,2,3-ef)-1,5-benzodiazepin-2(1H)-one, 3,4-dihydro-1-(3-(diethylamino)propyl)-4,6-dimethyl-7-phenyl-, monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrrolo(1,2,3-ef)-1,5-benzodiazepin-2(1H)-one, 3,4-dihydro-1-(3-(diethylamino)propyl)-4,6-dimethyl-7-phenyl-, monohydrochloride has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pyrrolo(1,2,3-ef)-1,5-benzodiazepin-2(1H)-one, 3,4-dihydro-1-(3-(diethylamino)propyl)-4,6-dimethyl-7-phenyl-, monohydrochloride?
The CAS number of Pyrrolo(1,2,3-ef)-1,5-benzodiazepin-2(1H)-one, 3,4-dihydro-1-(3-(diethylamino)propyl)-4,6-dimethyl-7-phenyl-, monohydrochloride is 122807-55-0.
What is the molecular formula of Pyrrolo(1,2,3-ef)-1,5-benzodiazepin-2(1H)-one, 3,4-dihydro-1-(3-(diethylamino)propyl)-4,6-dimethyl-7-phenyl-, monohydrochloride?
The molecular formula of Pyrrolo(1,2,3-ef)-1,5-benzodiazepin-2(1H)-one, 3,4-dihydro-1-(3-(diethylamino)propyl)-4,6-dimethyl-7-phenyl-, monohydrochloride is C26H34ClN3O.
What is the molecular weight of Pyrrolo(1,2,3-ef)-1,5-benzodiazepin-2(1H)-one, 3,4-dihydro-1-(3-(diethylamino)propyl)-4,6-dimethyl-7-phenyl-, monohydrochloride?
The molecular weight of Pyrrolo(1,2,3-ef)-1,5-benzodiazepin-2(1H)-one, 3,4-dihydro-1-(3-(diethylamino)propyl)-4,6-dimethyl-7-phenyl-, monohydrochloride is 439.24 g/mol.
Where can I buy Pyrrolo(1,2,3-ef)-1,5-benzodiazepin-2(1H)-one, 3,4-dihydro-1-(3-(diethylamino)propyl)-4,6-dimethyl-7-phenyl-, monohydrochloride?
You can request a quote for Pyrrolo(1,2,3-ef)-1,5-benzodiazepin-2(1H)-one, 3,4-dihydro-1-(3-(diethylamino)propyl)-4,6-dimethyl-7-phenyl-, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrrolo(1,2,3-ef)-1,5-benzodiazepin-2(1H)-one, 3,4-dihydro-1-(3-(diethylamino)propyl)-4,6-dimethyl-7-phenyl-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Pyrrolo(1,2,3-ef)-1,5-benzodiazepin-2(1H)-one, 3,4-dihydro-1-(3-(diethylamino)propyl)-4,6-dimethyl-7-phenyl-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.