Octahydropyrido(1,2-d)(1,4)diazepin-2(3H)-one
TL;DR: Octahydropyrido(1,2-d)(1,4)diazepin-2(3H)-one (CAS 16620-84-1) is a chemical compound with molecular formula C9H16N2O and molecular weight 168.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-d][1,4]diazepin-2-one
Also Known As: octahydropyrido[1,2-d][1,4]diazepin-2(3h)-one, decahydropyrido[1,2-d][1,4]diazepin-2-one, Pyrido[1,2-d][1,4]diazepin-2(3H)-one, octahydro-, 3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-d][1,4]diazepin-2-one, Octahydropyrido(1,2-d)(1,4)diazepin-2(3H)-one
| Molecular Formula | C9H16N2O |
|---|---|
| Molecular Weight | 168.13 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 32.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 168.12627 |
| Heavy Atoms | 12 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 16620-84-1 |
|---|---|
| SMILES | C1CCN2CCNC(=O)CC2C1 |
| InChIKey | BSRKEGXLHDDNPM-UHFFFAOYSA-N |
Product Overview
Octahydropyrido(1,2-d)(1,4)diazepin-2(3H)-one (CAS 16620-84-1), with molecular formula C9H16N2O and molecular weight 168.13 g/mol. IUPAC: 3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-d][1,4]diazepin-2-one.
Chemical Property Profile of Octahydropyrido(1,2-d)(1,4)diazepin-2(3H)-one
Property Insights of Octahydropyrido(1,2-d)(1,4)diazepin-2(3H)-one
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Octahydropyrido(1,2-d)(1,4)diazepin-2(3H)-one. With a topological polar surface area (TPSA) of 32.3 Ų, Octahydropyrido(1,2-d)(1,4)diazepin-2(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octahydropyrido(1,2-d)(1,4)diazepin-2(3H)-one 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 Octahydropyrido(1,2-d)(1,4)diazepin-2(3H)-one?
The CAS number of Octahydropyrido(1,2-d)(1,4)diazepin-2(3H)-one is 16620-84-1.
What is the molecular formula of Octahydropyrido(1,2-d)(1,4)diazepin-2(3H)-one?
The molecular formula of Octahydropyrido(1,2-d)(1,4)diazepin-2(3H)-one is C9H16N2O.
What is the molecular weight of Octahydropyrido(1,2-d)(1,4)diazepin-2(3H)-one?
The molecular weight of Octahydropyrido(1,2-d)(1,4)diazepin-2(3H)-one is 168.13 g/mol.
Where can I buy Octahydropyrido(1,2-d)(1,4)diazepin-2(3H)-one?
You can request a quote for Octahydropyrido(1,2-d)(1,4)diazepin-2(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octahydropyrido(1,2-d)(1,4)diazepin-2(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for Octahydropyrido(1,2-d)(1,4)diazepin-2(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.