3,7-Dihydro-6-methyl-5-phenylpyrrolo(3,4-E)-1,4-diazepin-2(1H)-one
TL;DR: 3,7-Dihydro-6-methyl-5-phenylpyrrolo(3,4-E)-1,4-diazepin-2(1H)-one (CAS 57435-84-4) is a chemical compound with molecular formula C14H13N3O and molecular weight 239.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-5-phenyl-3,7-dihydro-1H-pyrrolo[3,4-e][1,4]diazepin-2-one
Also Known As: Pyrrolo(3,4-e)(1,4)diazepin-2(1H)-one, 3,7-dihydro-6-methyl-5-phenyl-, 3,7-Dihydro-6-methyl-5-phenylpyrrolo(3,4-e)(1,4)diazepin-2(1H)-one, 3,7-Dihydro-6-methyl-5-phenylpyrrolo(3,4-E)-1,4-diazepin-2(1H)-one, 6-methyl-5-phenyl-3,7-dihydro-1H-pyrrolo[3,4-e][1,4]diazepin-2-one, 6-Methyl-5-phenyl-3,7-dihydropyrrolo[3,4-e][1,4]diazepin-2(1H)-one
| Molecular Formula | C14H13N3O |
|---|---|
| Molecular Weight | 239.11 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 57.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 239.10587 |
| Heavy Atoms | 18 |
| Complexity | 360.0 |
Chemical Identifiers
| CAS Number | 57435-84-4 |
|---|---|
| SMILES | CC1=C2C(=CN1)NC(=O)CN=C2C3=CC=CC=C3 |
| InChIKey | USVSPFRJTFLOCQ-UHFFFAOYSA-N |
Product Overview
3,7-Dihydro-6-methyl-5-phenylpyrrolo(3,4-E)-1,4-diazepin-2(1H)-one (CAS 57435-84-4), with molecular formula C14H13N3O and molecular weight 239.11 g/mol. IUPAC: 6-methyl-5-phenyl-3,7-dihydro-1H-pyrrolo[3,4-e][1,4]diazepin-2-one.
Chemical Property Profile of 3,7-Dihydro-6-methyl-5-phenylpyrrolo(3,4-E)-1,4-diazepin-2(1H)-one
Property Insights of 3,7-Dihydro-6-methyl-5-phenylpyrrolo(3,4-E)-1,4-diazepin-2(1H)-one
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,7-Dihydro-6-methyl-5-phenylpyrrolo(3,4-E)-1,4-diazepin-2(1H)-one. With a topological polar surface area (TPSA) of 57.3 Ų, 3,7-Dihydro-6-methyl-5-phenylpyrrolo(3,4-E)-1,4-diazepin-2(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,7-Dihydro-6-methyl-5-phenylpyrrolo(3,4-E)-1,4-diazepin-2(1H)-one has 2 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 3,7-Dihydro-6-methyl-5-phenylpyrrolo(3,4-E)-1,4-diazepin-2(1H)-one?
The CAS number of 3,7-Dihydro-6-methyl-5-phenylpyrrolo(3,4-E)-1,4-diazepin-2(1H)-one is 57435-84-4.
What is the molecular formula of 3,7-Dihydro-6-methyl-5-phenylpyrrolo(3,4-E)-1,4-diazepin-2(1H)-one?
The molecular formula of 3,7-Dihydro-6-methyl-5-phenylpyrrolo(3,4-E)-1,4-diazepin-2(1H)-one is C14H13N3O.
What is the molecular weight of 3,7-Dihydro-6-methyl-5-phenylpyrrolo(3,4-E)-1,4-diazepin-2(1H)-one?
The molecular weight of 3,7-Dihydro-6-methyl-5-phenylpyrrolo(3,4-E)-1,4-diazepin-2(1H)-one is 239.11 g/mol.
Where can I buy 3,7-Dihydro-6-methyl-5-phenylpyrrolo(3,4-E)-1,4-diazepin-2(1H)-one?
You can request a quote for 3,7-Dihydro-6-methyl-5-phenylpyrrolo(3,4-E)-1,4-diazepin-2(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,7-Dihydro-6-methyl-5-phenylpyrrolo(3,4-E)-1,4-diazepin-2(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3,7-Dihydro-6-methyl-5-phenylpyrrolo(3,4-E)-1,4-diazepin-2(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.