3H-Pyrrolo(4,3,2-gh)-1,4-benzodiazonin-3-one, 1,2,4,5,6,8-hexahydro-1,5-dimethyl-2-(1-methylethyl)-, (2S-(2R*,5S*))-
TL;DR: 3H-Pyrrolo(4,3,2-gh)-1,4-benzodiazonin-3-one, 1,2,4,5,6,8-hexahydro-1,5-dimethyl-2-(1-methylethyl)-, (2S-(2R*,5S*))- (CAS 99423-86-6) is a chemical compound with molecular formula C17H23N3O and molecular weight 285.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(10S,13R)-9,13-dimethyl-10-propan-2-yl-3,9,12-triazatricyclo[6.6.1.04,15]pentadeca-1,4(15),5,7-tetraen-11-one
Also Known As: 3H-Pyrrolo(4,3,2-gh)-1,4-benzodiazonin-3-one, 1,2,4,5,6,8-hexahydro-1,5-dimethyl-2-(1-methylethyl)-, (2S-(2R*,5S*))-, (2s,5r)-1,5-dimethyl-2-(propan-2-yl)-1,2,4,5,6,8-hexahydro-3h-[1,4]diazonino[7,6,5-cd]indol-3-one
| Molecular Formula | C17H23N3O |
|---|---|
| Molecular Weight | 285.18 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 48.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 285.1841 |
| Heavy Atoms | 21 |
| Complexity | 397.0 |
Chemical Identifiers
| CAS Number | 99423-86-6 |
|---|---|
| SMILES | C[C@@H]1CC2=CNC3=C2C(=CC=C3)N([C@H](C(=O)N1)C(C)C)C |
| InChIKey | MVIGXZJDBJECPV-BZNIZROVSA-N |
Product Overview
3H-Pyrrolo(4,3,2-gh)-1,4-benzodiazonin-3-one, 1,2,4,5,6,8-hexahydro-1,5-dimethyl-2-(1-methylethyl)-, (2S-(2R*,5S*))- (CAS 99423-86-6), with molecular formula C17H23N3O and molecular weight 285.18 g/mol. IUPAC: (10S,13R)-9,13-dimethyl-10-propan-2-yl-3,9,12-triazatricyclo[6.6.1.04,15]pentadeca-1,4(15),5,7-tetraen-11-one.
Chemical Property Profile of 3H-Pyrrolo(4,3,2-gh)-1,4-benzodiazonin-3-one, 1,2,4,5,6,8-hexahydro-1,5-dimethyl-2-(1-methylethyl)-, (2S-(2R*,5S*))-
Property Insights of 3H-Pyrrolo(4,3,2-gh)-1,4-benzodiazonin-3-one, 1,2,4,5,6,8-hexahydro-1,5-dimethyl-2-(1-methylethyl)-, (2S-(2R*,5S*))-
The XLogP value of 3.3 indicates that 3H-Pyrrolo(4,3,2-gh)-1,4-benzodiazonin-3-one, 1,2,4,5,6,8-hexahydro-1,5-dimethyl-2-(1-methylethyl)-, (2S-(2R*,5S*))- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.1 Ų, 3H-Pyrrolo(4,3,2-gh)-1,4-benzodiazonin-3-one, 1,2,4,5,6,8-hexahydro-1,5-dimethyl-2-(1-methylethyl)-, (2S-(2R*,5S*))- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3H-Pyrrolo(4,3,2-gh)-1,4-benzodiazonin-3-one, 1,2,4,5,6,8-hexahydro-1,5-dimethyl-2-(1-methylethyl)-, (2S-(2R*,5S*))- 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 3H-Pyrrolo(4,3,2-gh)-1,4-benzodiazonin-3-one, 1,2,4,5,6,8-hexahydro-1,5-dimethyl-2-(1-methylethyl)-, (2S-(2R*,5S*))-?
The CAS number of 3H-Pyrrolo(4,3,2-gh)-1,4-benzodiazonin-3-one, 1,2,4,5,6,8-hexahydro-1,5-dimethyl-2-(1-methylethyl)-, (2S-(2R*,5S*))- is 99423-86-6.
What is the molecular formula of 3H-Pyrrolo(4,3,2-gh)-1,4-benzodiazonin-3-one, 1,2,4,5,6,8-hexahydro-1,5-dimethyl-2-(1-methylethyl)-, (2S-(2R*,5S*))-?
The molecular formula of 3H-Pyrrolo(4,3,2-gh)-1,4-benzodiazonin-3-one, 1,2,4,5,6,8-hexahydro-1,5-dimethyl-2-(1-methylethyl)-, (2S-(2R*,5S*))- is C17H23N3O.
What is the molecular weight of 3H-Pyrrolo(4,3,2-gh)-1,4-benzodiazonin-3-one, 1,2,4,5,6,8-hexahydro-1,5-dimethyl-2-(1-methylethyl)-, (2S-(2R*,5S*))-?
The molecular weight of 3H-Pyrrolo(4,3,2-gh)-1,4-benzodiazonin-3-one, 1,2,4,5,6,8-hexahydro-1,5-dimethyl-2-(1-methylethyl)-, (2S-(2R*,5S*))- is 285.18 g/mol.
Where can I buy 3H-Pyrrolo(4,3,2-gh)-1,4-benzodiazonin-3-one, 1,2,4,5,6,8-hexahydro-1,5-dimethyl-2-(1-methylethyl)-, (2S-(2R*,5S*))-?
You can request a quote for 3H-Pyrrolo(4,3,2-gh)-1,4-benzodiazonin-3-one, 1,2,4,5,6,8-hexahydro-1,5-dimethyl-2-(1-methylethyl)-, (2S-(2R*,5S*))- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3H-Pyrrolo(4,3,2-gh)-1,4-benzodiazonin-3-one, 1,2,4,5,6,8-hexahydro-1,5-dimethyl-2-(1-methylethyl)-, (2S-(2R*,5S*))-?
Yes, KEHONG BIO provides custom synthesis services for 3H-Pyrrolo(4,3,2-gh)-1,4-benzodiazonin-3-one, 1,2,4,5,6,8-hexahydro-1,5-dimethyl-2-(1-methylethyl)-, (2S-(2R*,5S*))- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.