Pyrrolo(3,4-e)-1,4-diazepin-2(1H)-one, 3,7-dihydro-8-chloro-6,7-dimethyl-5-phenyl-
TL;DR: Pyrrolo(3,4-e)-1,4-diazepin-2(1H)-one, 3,7-dihydro-8-chloro-6,7-dimethyl-5-phenyl- (CAS 84829-74-3) is a chemical compound with molecular formula C15H14ClN3O and molecular weight 287.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-chloro-6,7-dimethyl-5-phenyl-1,3-dihydropyrrolo[3,4-e][1,4]diazepin-2-one
Also Known As: Pyrrolo(3,4-e)-1,4-diazepin-2(1H)-one, 3,7-dihydro-8-chloro-6,7-dimethyl-5-phenyl-, 3,7-Dihydro-8-chloro-6,7-dimethyl-5-phenylpyrrolo(3,4-e)-1,4-diazepin-2(1H)-one, 8-Chloro-3,7-dihydro-6,7-dimethyl-5-phenylpyrrolo(3,4-e)(1,4)diazepin-2(1H)-one, 8-chloro-3,7-dihydro-6,7-dimethyl-5-phenylpyrrolo[3,4-e][1,4]diazepin-2(1H)-one, 8-chloro-6,7-dimethyl-5-phenyl-1,3-dihydropyrrolo[3,4-e][1,4]diazepin-2-one
| Molecular Formula | C15H14ClN3O |
|---|---|
| Molecular Weight | 287.08 g/mol |
| LogP | 2.77642 |
| Topological Polar Surface Area | 46.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 287.08255 |
| Heavy Atoms | 20 |
| Complexity | 716.465 |
Chemical Identifiers
| CAS Number | 84829-74-3 |
|---|---|
| SMILES | CC1=C2C(=C(N1C)Cl)NC(=O)CN=C2C3=CC=CC=C3 |
Product Overview
Pyrrolo(3,4-e)-1,4-diazepin-2(1H)-one, 3,7-dihydro-8-chloro-6,7-dimethyl-5-phenyl- (CAS 84829-74-3), with molecular formula C15H14ClN3O and molecular weight 287.08 g/mol. IUPAC: 8-chloro-6,7-dimethyl-5-phenyl-1,3-dihydropyrrolo[3,4-e][1,4]diazepin-2-one.
Chemical Property Profile of Pyrrolo(3,4-e)-1,4-diazepin-2(1H)-one, 3,7-dihydro-8-chloro-6,7-dimethyl-5-phenyl-
Property Insights of Pyrrolo(3,4-e)-1,4-diazepin-2(1H)-one, 3,7-dihydro-8-chloro-6,7-dimethyl-5-phenyl-
The XLogP value of 2.77642 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrrolo(3,4-e)-1,4-diazepin-2(1H)-one, 3,7-dihydro-8-chloro-6,7-dimethyl-5-phenyl-. With a topological polar surface area (TPSA) of 46.39 Ų, Pyrrolo(3,4-e)-1,4-diazepin-2(1H)-one, 3,7-dihydro-8-chloro-6,7-dimethyl-5-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrrolo(3,4-e)-1,4-diazepin-2(1H)-one, 3,7-dihydro-8-chloro-6,7-dimethyl-5-phenyl- 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 Pyrrolo(3,4-e)-1,4-diazepin-2(1H)-one, 3,7-dihydro-8-chloro-6,7-dimethyl-5-phenyl-?
The CAS number of Pyrrolo(3,4-e)-1,4-diazepin-2(1H)-one, 3,7-dihydro-8-chloro-6,7-dimethyl-5-phenyl- is 84829-74-3.
What is the molecular formula of Pyrrolo(3,4-e)-1,4-diazepin-2(1H)-one, 3,7-dihydro-8-chloro-6,7-dimethyl-5-phenyl-?
The molecular formula of Pyrrolo(3,4-e)-1,4-diazepin-2(1H)-one, 3,7-dihydro-8-chloro-6,7-dimethyl-5-phenyl- is C15H14ClN3O.
What is the molecular weight of Pyrrolo(3,4-e)-1,4-diazepin-2(1H)-one, 3,7-dihydro-8-chloro-6,7-dimethyl-5-phenyl-?
The molecular weight of Pyrrolo(3,4-e)-1,4-diazepin-2(1H)-one, 3,7-dihydro-8-chloro-6,7-dimethyl-5-phenyl- is 287.08 g/mol.
Where can I buy Pyrrolo(3,4-e)-1,4-diazepin-2(1H)-one, 3,7-dihydro-8-chloro-6,7-dimethyl-5-phenyl-?
You can request a quote for Pyrrolo(3,4-e)-1,4-diazepin-2(1H)-one, 3,7-dihydro-8-chloro-6,7-dimethyl-5-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrrolo(3,4-e)-1,4-diazepin-2(1H)-one, 3,7-dihydro-8-chloro-6,7-dimethyl-5-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for Pyrrolo(3,4-e)-1,4-diazepin-2(1H)-one, 3,7-dihydro-8-chloro-6,7-dimethyl-5-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.