5H-Pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 1,2,3,10,11,11a-hexahydro-
TL;DR: 5H-Pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 1,2,3,10,11,11a-hexahydro- (CAS 9001-75-6) is a chemical compound with molecular formula C12H14N2O and molecular weight 202.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
Also Known As: Pepsin 1:3000, J1.033.862J, 1,2,3,10,11,11a-Hexahydro-5H-pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one, 5H-Pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 1,2,3,10,11,11a-hexahydro-
| Molecular Formula | C12H14N2O |
|---|---|
| Molecular Weight | 202.11 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 32.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 202.11061 |
| Heavy Atoms | 15 |
| Complexity | 266.0 |
Chemical Identifiers
| CAS Number | 9001-75-6 |
|---|---|
| SMILES | C1CC2CNC3=CC=CC=C3C(=O)N2C1 |
| InChIKey | HYPFMFLAOOULNZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5H-Pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 1,2,3,10,11,11a-hexahydro- (CAS 9001-75-6), with molecular formula C12H14N2O and molecular weight 202.11 g/mol. IUPAC: 5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one.
Chemical Property Profile of 5H-Pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 1,2,3,10,11,11a-hexahydro-
Property Insights of 5H-Pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 1,2,3,10,11,11a-hexahydro-
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5H-Pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 1,2,3,10,11,11a-hexahydro-. With a topological polar surface area (TPSA) of 32.3 Ų, 5H-Pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 1,2,3,10,11,11a-hexahydro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5H-Pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 1,2,3,10,11,11a-hexahydro- 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 5H-Pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 1,2,3,10,11,11a-hexahydro-?
The CAS number of 5H-Pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 1,2,3,10,11,11a-hexahydro- is 9001-75-6.
What is the molecular formula of 5H-Pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 1,2,3,10,11,11a-hexahydro-?
The molecular formula of 5H-Pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 1,2,3,10,11,11a-hexahydro- is C12H14N2O.
What is the molecular weight of 5H-Pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 1,2,3,10,11,11a-hexahydro-?
The molecular weight of 5H-Pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 1,2,3,10,11,11a-hexahydro- is 202.11 g/mol.
Where can I buy 5H-Pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 1,2,3,10,11,11a-hexahydro-?
You can request a quote for 5H-Pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 1,2,3,10,11,11a-hexahydro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5H-Pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 1,2,3,10,11,11a-hexahydro-?
Yes, KEHONG BIO provides custom synthesis services for 5H-Pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 1,2,3,10,11,11a-hexahydro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.