3H-Pyrrolo(4,3,2-gh)-1,4-benzodiazonin-3-one, 1,2,4,5,6,8-hexahydro-5-(methoxymethyl)-1-methyl-2-(1-methylethyl)-, (2S-(2R*,5R*))-
TL;DR: 3H-Pyrrolo(4,3,2-gh)-1,4-benzodiazonin-3-one, 1,2,4,5,6,8-hexahydro-5-(methoxymethyl)-1-methyl-2-(1-methylethyl)-, (2S-(2R*,5R*))- (CAS 95676-82-7) is a chemical compound with molecular formula C18H25N3O2 and molecular weight 315.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(10S,13S)-13-(methoxymethyl)-9-methyl-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-5-(methoxymethyl)-1-methyl-2-(1-methylethyl)-, (2S-(2R*,5R*))-, (2S,5S)-5-(Methoxymethyl)-1-methyl-2-(propan-2-yl)-1,2,4,5,6,8-hexahydro-3H-[1,4]diazonino[7,6,5-cd]indol-3-one
| Molecular Formula | C18H25N3O2 |
|---|---|
| Molecular Weight | 315.19 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 57.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 315.19467 |
| Heavy Atoms | 23 |
| Complexity | 428.0 |
Chemical Identifiers
| CAS Number | 95676-82-7 |
|---|---|
| SMILES | CC(C)[C@H]1C(=O)N[C@@H](CC2=CNC3=C2C(=CC=C3)N1C)COC |
| InChIKey | OUBJEQDCVGQOAZ-GUYCJALGSA-N |
Product Overview
3H-Pyrrolo(4,3,2-gh)-1,4-benzodiazonin-3-one, 1,2,4,5,6,8-hexahydro-5-(methoxymethyl)-1-methyl-2-(1-methylethyl)-, (2S-(2R*,5R*))- (CAS 95676-82-7), with molecular formula C18H25N3O2 and molecular weight 315.19 g/mol. IUPAC: (10S,13S)-13-(methoxymethyl)-9-methyl-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-5-(methoxymethyl)-1-methyl-2-(1-methylethyl)-, (2S-(2R*,5R*))-
Property Insights of 3H-Pyrrolo(4,3,2-gh)-1,4-benzodiazonin-3-one, 1,2,4,5,6,8-hexahydro-5-(methoxymethyl)-1-methyl-2-(1-methylethyl)-, (2S-(2R*,5R*))-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3H-Pyrrolo(4,3,2-gh)-1,4-benzodiazonin-3-one, 1,2,4,5,6,8-hexahydro-5-(methoxymethyl)-1-methyl-2-(1-methylethyl)-, (2S-(2R*,5R*))-. With a topological polar surface area (TPSA) of 57.4 Ų, 3H-Pyrrolo(4,3,2-gh)-1,4-benzodiazonin-3-one, 1,2,4,5,6,8-hexahydro-5-(methoxymethyl)-1-methyl-2-(1-methylethyl)-, (2S-(2R*,5R*))- 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-5-(methoxymethyl)-1-methyl-2-(1-methylethyl)-, (2S-(2R*,5R*))- 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 3H-Pyrrolo(4,3,2-gh)-1,4-benzodiazonin-3-one, 1,2,4,5,6,8-hexahydro-5-(methoxymethyl)-1-methyl-2-(1-methylethyl)-, (2S-(2R*,5R*))-?
The CAS number of 3H-Pyrrolo(4,3,2-gh)-1,4-benzodiazonin-3-one, 1,2,4,5,6,8-hexahydro-5-(methoxymethyl)-1-methyl-2-(1-methylethyl)-, (2S-(2R*,5R*))- is 95676-82-7.
What is the molecular formula of 3H-Pyrrolo(4,3,2-gh)-1,4-benzodiazonin-3-one, 1,2,4,5,6,8-hexahydro-5-(methoxymethyl)-1-methyl-2-(1-methylethyl)-, (2S-(2R*,5R*))-?
The molecular formula of 3H-Pyrrolo(4,3,2-gh)-1,4-benzodiazonin-3-one, 1,2,4,5,6,8-hexahydro-5-(methoxymethyl)-1-methyl-2-(1-methylethyl)-, (2S-(2R*,5R*))- is C18H25N3O2.
What is the molecular weight of 3H-Pyrrolo(4,3,2-gh)-1,4-benzodiazonin-3-one, 1,2,4,5,6,8-hexahydro-5-(methoxymethyl)-1-methyl-2-(1-methylethyl)-, (2S-(2R*,5R*))-?
The molecular weight of 3H-Pyrrolo(4,3,2-gh)-1,4-benzodiazonin-3-one, 1,2,4,5,6,8-hexahydro-5-(methoxymethyl)-1-methyl-2-(1-methylethyl)-, (2S-(2R*,5R*))- is 315.19 g/mol.
Where can I buy 3H-Pyrrolo(4,3,2-gh)-1,4-benzodiazonin-3-one, 1,2,4,5,6,8-hexahydro-5-(methoxymethyl)-1-methyl-2-(1-methylethyl)-, (2S-(2R*,5R*))-?
You can request a quote for 3H-Pyrrolo(4,3,2-gh)-1,4-benzodiazonin-3-one, 1,2,4,5,6,8-hexahydro-5-(methoxymethyl)-1-methyl-2-(1-methylethyl)-, (2S-(2R*,5R*))- 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-5-(methoxymethyl)-1-methyl-2-(1-methylethyl)-, (2S-(2R*,5R*))-?
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-5-(methoxymethyl)-1-methyl-2-(1-methylethyl)-, (2S-(2R*,5R*))- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.