3,4,9,10-Tetrahydro-10-phenylpyrrolo(3,4-b)(1,5)benzodiazepin-1(2H)-one hydrate
TL;DR: 3,4,9,10-Tetrahydro-10-phenylpyrrolo(3,4-b)(1,5)benzodiazepin-1(2H)-one hydrate (CAS 137987-36-1) is a chemical compound with molecular formula C17H15N3O and molecular weight 277.12152 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-phenyl-2,4,5,10-tetrahydro-1H-pyrrolo[3,4-c][1,5]benzodiazepin-3-one
Also Known As: 3,4,9,10-Tetrahydro-10-phenylpyrrolo(3,4-b)(1,5)benzodiazepin-1(2H)-one hydrate, AB00086439-01, AH-262/08501018, Pyrrolo(3,4-b)(1,5)benzodiazepin-1(2H)-one, 3,4,9,10-tetrahydro-10-phenyl-, hydrate, 4-phenyl-2,4,5,10-tetrahydro-1H-pyrrolo[3,4-c][1,5]benzodiazepin-3-one
Technical Specifications
| Molecular Formula | C17H15N3O |
| Molecular Weight | 277.12152 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 53.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 277.12152 Da |
| Heavy Atoms | 21 |
| Complexity | 453.0 |
| SMILES | C1C2=C(C(NC3=CC=CC=C3N2)C4=CC=CC=C4)C(=O)N1 |
| InChIKey | JMIDETFMZFEBIU-UHFFFAOYSA-N |
Chemical Property Profile of 3,4,9,10-Tetrahydro-10-phenylpyrrolo(3,4-b)(1,5)benzodiazepin-1(2H)-one hydrate
Property Insights of 3,4,9,10-Tetrahydro-10-phenylpyrrolo(3,4-b)(1,5)benzodiazepin-1(2H)-one hydrate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4,9,10-Tetrahydro-10-phenylpyrrolo(3,4-b)(1,5)benzodiazepin-1(2H)-one hydrate. With a topological polar surface area (TPSA) of 53.2 Ų, 3,4,9,10-Tetrahydro-10-phenylpyrrolo(3,4-b)(1,5)benzodiazepin-1(2H)-one hydrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4,9,10-Tetrahydro-10-phenylpyrrolo(3,4-b)(1,5)benzodiazepin-1(2H)-one hydrate has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3,4,9,10-Tetrahydro-10-phenylpyrrolo(3,4-b)(1,5)benzodiazepin-1(2H)-one hydrate?
The CAS number of 3,4,9,10-Tetrahydro-10-phenylpyrrolo(3,4-b)(1,5)benzodiazepin-1(2H)-one hydrate is 137987-36-1.
What is the molecular formula of 3,4,9,10-Tetrahydro-10-phenylpyrrolo(3,4-b)(1,5)benzodiazepin-1(2H)-one hydrate?
The molecular formula of 3,4,9,10-Tetrahydro-10-phenylpyrrolo(3,4-b)(1,5)benzodiazepin-1(2H)-one hydrate is C17H15N3O.
What is the molecular weight of 3,4,9,10-Tetrahydro-10-phenylpyrrolo(3,4-b)(1,5)benzodiazepin-1(2H)-one hydrate?
The molecular weight of 3,4,9,10-Tetrahydro-10-phenylpyrrolo(3,4-b)(1,5)benzodiazepin-1(2H)-one hydrate is 277.12152 g/mol.
Where can I buy 3,4,9,10-Tetrahydro-10-phenylpyrrolo(3,4-b)(1,5)benzodiazepin-1(2H)-one hydrate?
You can request a quote for 3,4,9,10-Tetrahydro-10-phenylpyrrolo(3,4-b)(1,5)benzodiazepin-1(2H)-one hydrate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,4,9,10-Tetrahydro-10-phenylpyrrolo(3,4-b)(1,5)benzodiazepin-1(2H)-one hydrate?
Yes, CoreyChem provides custom synthesis services for 3,4,9,10-Tetrahydro-10-phenylpyrrolo(3,4-b)(1,5)benzodiazepin-1(2H)-one hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.