![3-Methyloctahydropyrido[1,2-d][1,4]diazepin-4(5H)-one structure](/static/products/944/94409-18-4.png)
3-Methyloctahydropyrido[1,2-d][1,4]diazepin-4(5H)-one
TL;DR: 3-Methyloctahydropyrido[1,2-d][1,4]diazepin-4(5H)-one (CAS 94409-18-4) is a chemical compound with molecular formula C10H18N2O and molecular weight 182.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-1,2,5,7,8,9,10,10a-octahydropyrido[1,2-d][1,4]diazepin-4-one
Also Known As: 3-Methyloctahydropyrido[1,2-d][1,4]diazepin-4(5H)-one, 3-Methyloctahydropyrido(1,2-d)(1,4)diazepin-4(5H)-one, 3-methyl-1,2,5,7,8,9,10,10a-octahydropyrido[1,2-d][1,4]diazepin-4-one
| Molecular Formula | C10H18N2O |
|---|---|
| Molecular Weight | 182.14 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 23.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 182.1419 |
| Heavy Atoms | 13 |
| Complexity | 205.0 |
Chemical Identifiers
| CAS Number | 94409-18-4 |
|---|---|
| SMILES | CN1CCC2CCCCN2CC1=O |
| InChIKey | NMHUKABQLSIYLC-UHFFFAOYSA-N |
Product Overview
3-Methyloctahydropyrido[1,2-d][1,4]diazepin-4(5H)-one (CAS 94409-18-4), with molecular formula C10H18N2O and molecular weight 182.14 g/mol. IUPAC: 3-methyl-1,2,5,7,8,9,10,10a-octahydropyrido[1,2-d][1,4]diazepin-4-one.
Chemical Property Profile of 3-Methyloctahydropyrido[1,2-d][1,4]diazepin-4(5H)-one
Property Insights of 3-Methyloctahydropyrido[1,2-d][1,4]diazepin-4(5H)-one
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyloctahydropyrido[1,2-d][1,4]diazepin-4(5H)-one. With a topological polar surface area (TPSA) of 23.6 Ų, 3-Methyloctahydropyrido[1,2-d][1,4]diazepin-4(5H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyloctahydropyrido[1,2-d][1,4]diazepin-4(5H)-one has 0 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-Methyloctahydropyrido[1,2-d][1,4]diazepin-4(5H)-one?
The CAS number of 3-Methyloctahydropyrido[1,2-d][1,4]diazepin-4(5H)-one is 94409-18-4.
What is the molecular formula of 3-Methyloctahydropyrido[1,2-d][1,4]diazepin-4(5H)-one?
The molecular formula of 3-Methyloctahydropyrido[1,2-d][1,4]diazepin-4(5H)-one is C10H18N2O.
What is the molecular weight of 3-Methyloctahydropyrido[1,2-d][1,4]diazepin-4(5H)-one?
The molecular weight of 3-Methyloctahydropyrido[1,2-d][1,4]diazepin-4(5H)-one is 182.14 g/mol.
Where can I buy 3-Methyloctahydropyrido[1,2-d][1,4]diazepin-4(5H)-one?
You can request a quote for 3-Methyloctahydropyrido[1,2-d][1,4]diazepin-4(5H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyloctahydropyrido[1,2-d][1,4]diazepin-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyloctahydropyrido[1,2-d][1,4]diazepin-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.