3-Phenyl-2,3,3A,10-tetrahydropyrrolo(2,3-B)(1,5)benzodiazepin-4(5H)-one
TL;DR: 3-Phenyl-2,3,3A,10-tetrahydropyrrolo(2,3-B)(1,5)benzodiazepin-4(5H)-one (CAS 32952-47-9) is a chemical compound with molecular formula C17H15N3O and molecular weight 277.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenyl-3,3a,5,10-tetrahydro-2H-pyrrolo[2,3-b][1,5]benzodiazepin-4-one
Also Known As: 3-phenyl-3,3a,5,10-tetrahydropyrrolo[2,3-b][1,5]benzodiazepin-4(2H)-one, 3-Phenyl-3,3a,5,10-tetrahydrobenzo[b]pyrrolo[2,3-e][1,4]diazepin-4(2H)-one, 3-phenyl-3,3a,5,10-tetrahydro-2H-pyrrolo[2,3-b][1,5]benzodiazepin-4-one, 3-Phenyl-2,3,3A,10-tetrahydropyrrolo(2,3-B)(1,5)benzodiazepin-4(5H)-one, 6-phenyl-2,4,9-triazatricyclo[8.4.0.0^{3,7}]tetradeca-1(10),3,11,13-tetraen-8-one
| Molecular Formula | C17H15N3O |
|---|---|
| Molecular Weight | 277.12 g/mol |
| LogP | 2.8627 |
| Topological Polar Surface Area | 53.49 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 277.12152 |
| Heavy Atoms | 21 |
| Complexity | 723.8249 |
Chemical Identifiers
| CAS Number | 32952-47-9 |
|---|---|
| SMILES | C1C(C2C(=N1)NC3=CC=CC=C3NC2=O)C4=CC=CC=C4 |
Product Overview
3-Phenyl-2,3,3A,10-tetrahydropyrrolo(2,3-B)(1,5)benzodiazepin-4(5H)-one (CAS 32952-47-9), with molecular formula C17H15N3O and molecular weight 277.12 g/mol. IUPAC: 3-phenyl-3,3a,5,10-tetrahydro-2H-pyrrolo[2,3-b][1,5]benzodiazepin-4-one.
Chemical Property Profile of 3-Phenyl-2,3,3A,10-tetrahydropyrrolo(2,3-B)(1,5)benzodiazepin-4(5H)-one
Property Insights of 3-Phenyl-2,3,3A,10-tetrahydropyrrolo(2,3-B)(1,5)benzodiazepin-4(5H)-one
The XLogP value of 2.8627 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Phenyl-2,3,3A,10-tetrahydropyrrolo(2,3-B)(1,5)benzodiazepin-4(5H)-one. With a topological polar surface area (TPSA) of 53.49 Ų, 3-Phenyl-2,3,3A,10-tetrahydropyrrolo(2,3-B)(1,5)benzodiazepin-4(5H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Phenyl-2,3,3A,10-tetrahydropyrrolo(2,3-B)(1,5)benzodiazepin-4(5H)-one has 2 hydrogen bond donor(s) and 3 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 3-Phenyl-2,3,3A,10-tetrahydropyrrolo(2,3-B)(1,5)benzodiazepin-4(5H)-one?
The CAS number of 3-Phenyl-2,3,3A,10-tetrahydropyrrolo(2,3-B)(1,5)benzodiazepin-4(5H)-one is 32952-47-9.
What is the molecular formula of 3-Phenyl-2,3,3A,10-tetrahydropyrrolo(2,3-B)(1,5)benzodiazepin-4(5H)-one?
The molecular formula of 3-Phenyl-2,3,3A,10-tetrahydropyrrolo(2,3-B)(1,5)benzodiazepin-4(5H)-one is C17H15N3O.
What is the molecular weight of 3-Phenyl-2,3,3A,10-tetrahydropyrrolo(2,3-B)(1,5)benzodiazepin-4(5H)-one?
The molecular weight of 3-Phenyl-2,3,3A,10-tetrahydropyrrolo(2,3-B)(1,5)benzodiazepin-4(5H)-one is 277.12 g/mol.
Where can I buy 3-Phenyl-2,3,3A,10-tetrahydropyrrolo(2,3-B)(1,5)benzodiazepin-4(5H)-one?
You can request a quote for 3-Phenyl-2,3,3A,10-tetrahydropyrrolo(2,3-B)(1,5)benzodiazepin-4(5H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Phenyl-2,3,3A,10-tetrahydropyrrolo(2,3-B)(1,5)benzodiazepin-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Phenyl-2,3,3A,10-tetrahydropyrrolo(2,3-B)(1,5)benzodiazepin-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.