![3a,9b-Dimethyl-1,4,5,3a,9b-pentahydrobenzo[e]benzoxazol-2-one structure](/static/products/6966/696635-52-6.webp)
3a,9b-Dimethyl-1,4,5,3a,9b-pentahydrobenzo[e]benzoxazol-2-one
TL;DR: 3a,9b-Dimethyl-1,4,5,3a,9b-pentahydrobenzo[e]benzoxazol-2-one (CAS 696635-52-6) is a chemical compound with molecular formula C13H15NO2 and molecular weight 217.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3a,9b-dimethyl-4,5-dihydro-1H-benzo[e][1,3]benzoxazol-2-one
Also Known As: ZERO/008329, 3a,9b-dimethyl-4,5-dihydro-1H-benzo[e][1,3]benzoxazol-2-one, 3a,9b-dimethyl-1,4,5,3a,9b-pentahydrobenzo[e]benzoxazol-2-one, 3A,9b-dimethyl-3a,4,5,9b-tetrahydronaphtho[1,2-d]oxazol-2(1H)-one, Naphth[1,2-d]oxazol-2(1H)-one, 3a,4,5,9b-tetrahydro-3a,9b-dimethyl- (9CI)
| Molecular Formula | C13H15NO2 |
|---|---|
| Molecular Weight | 217.11 g/mol |
| LogP | 2.3465 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 217.11028 |
| Heavy Atoms | 16 |
| Complexity | 470.75534 |
Chemical Identifiers
| CAS Number | 696635-52-6 |
|---|---|
| SMILES | CC12CCC3=CC=CC=C3C1(NC(=O)O2)C |
Product Overview
3a,9b-Dimethyl-1,4,5,3a,9b-pentahydrobenzo[e]benzoxazol-2-one (CAS 696635-52-6), with molecular formula C13H15NO2 and molecular weight 217.11 g/mol. IUPAC: 3a,9b-dimethyl-4,5-dihydro-1H-benzo[e][1,3]benzoxazol-2-one.
Chemical Property Profile of 3a,9b-Dimethyl-1,4,5,3a,9b-pentahydrobenzo[e]benzoxazol-2-one
Property Insights of 3a,9b-Dimethyl-1,4,5,3a,9b-pentahydrobenzo[e]benzoxazol-2-one
The XLogP value of 2.3465 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3a,9b-Dimethyl-1,4,5,3a,9b-pentahydrobenzo[e]benzoxazol-2-one. With a topological polar surface area (TPSA) of 38.33 Ų, 3a,9b-Dimethyl-1,4,5,3a,9b-pentahydrobenzo[e]benzoxazol-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3a,9b-Dimethyl-1,4,5,3a,9b-pentahydrobenzo[e]benzoxazol-2-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 3a,9b-Dimethyl-1,4,5,3a,9b-pentahydrobenzo[e]benzoxazol-2-one?
The CAS number of 3a,9b-Dimethyl-1,4,5,3a,9b-pentahydrobenzo[e]benzoxazol-2-one is 696635-52-6.
What is the molecular formula of 3a,9b-Dimethyl-1,4,5,3a,9b-pentahydrobenzo[e]benzoxazol-2-one?
The molecular formula of 3a,9b-Dimethyl-1,4,5,3a,9b-pentahydrobenzo[e]benzoxazol-2-one is C13H15NO2.
What is the molecular weight of 3a,9b-Dimethyl-1,4,5,3a,9b-pentahydrobenzo[e]benzoxazol-2-one?
The molecular weight of 3a,9b-Dimethyl-1,4,5,3a,9b-pentahydrobenzo[e]benzoxazol-2-one is 217.11 g/mol.
Where can I buy 3a,9b-Dimethyl-1,4,5,3a,9b-pentahydrobenzo[e]benzoxazol-2-one?
You can request a quote for 3a,9b-Dimethyl-1,4,5,3a,9b-pentahydrobenzo[e]benzoxazol-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3a,9b-Dimethyl-1,4,5,3a,9b-pentahydrobenzo[e]benzoxazol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3a,9b-Dimethyl-1,4,5,3a,9b-pentahydrobenzo[e]benzoxazol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.