![9-methoxy-3,4,4a,5,6,10b-hexahydro-2H-benzo[h][1,4]benzoxazine structure](/static/products/1531/153153-60-7.webp)
9-methoxy-3,4,4a,5,6,10b-hexahydro-2H-benzo[h][1,4]benzoxazine
TL;DR: 9-methoxy-3,4,4a,5,6,10b-hexahydro-2H-benzo[h][1,4]benzoxazine (CAS 153153-60-7) is a chemical compound with molecular formula C13H17NO2 and molecular weight 219.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-methoxy-3,4,4a,5,6,10b-hexahydro-2H-benzo[h][1,4]benzoxazine
Also Known As: NCI60_004851, 9-methoxy-3,4,4a,5,6,10b-hexahydro-2H-benzo[h][1,4]benzoxazine, (+)-3,4,4a,5,6,10b-Hexahydro-9-methoxy-2H-naphtho[1,2-b][1,4]oxazin-3-one, 9-Methoxy-3,4,4a,5,6,10b-hexahydro-2H-naphtho[1,2-b][1,4]oxazine, 9-Methoxy-3,4,4a,5,6,10b-hexahydro-2H-naphtho[1,2-b][1,4]oxazine hydrochloride
| Molecular Formula | C13H17NO2 |
|---|---|
| Molecular Weight | 219.13 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 30.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 219.12593 |
| Heavy Atoms | 16 |
| Complexity | 246.0 |
Chemical Identifiers
| CAS Number | 153153-60-7 |
|---|---|
| SMILES | COC1=CC2=C(CCC3C2OCCN3)C=C1 |
| InChIKey | ZBQMPCXNGKZCPK-UHFFFAOYSA-N |
Product Overview
9-methoxy-3,4,4a,5,6,10b-hexahydro-2H-benzo[h][1,4]benzoxazine (CAS 153153-60-7), with molecular formula C13H17NO2 and molecular weight 219.13 g/mol. IUPAC: 9-methoxy-3,4,4a,5,6,10b-hexahydro-2H-benzo[h][1,4]benzoxazine.
Chemical Property Profile of 9-methoxy-3,4,4a,5,6,10b-hexahydro-2H-benzo[h][1,4]benzoxazine
Property Insights of 9-methoxy-3,4,4a,5,6,10b-hexahydro-2H-benzo[h][1,4]benzoxazine
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-methoxy-3,4,4a,5,6,10b-hexahydro-2H-benzo[h][1,4]benzoxazine. With a topological polar surface area (TPSA) of 30.5 Ų, 9-methoxy-3,4,4a,5,6,10b-hexahydro-2H-benzo[h][1,4]benzoxazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-methoxy-3,4,4a,5,6,10b-hexahydro-2H-benzo[h][1,4]benzoxazine has 1 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 9-methoxy-3,4,4a,5,6,10b-hexahydro-2H-benzo[h][1,4]benzoxazine?
The CAS number of 9-methoxy-3,4,4a,5,6,10b-hexahydro-2H-benzo[h][1,4]benzoxazine is 153153-60-7.
What is the molecular formula of 9-methoxy-3,4,4a,5,6,10b-hexahydro-2H-benzo[h][1,4]benzoxazine?
The molecular formula of 9-methoxy-3,4,4a,5,6,10b-hexahydro-2H-benzo[h][1,4]benzoxazine is C13H17NO2.
What is the molecular weight of 9-methoxy-3,4,4a,5,6,10b-hexahydro-2H-benzo[h][1,4]benzoxazine?
The molecular weight of 9-methoxy-3,4,4a,5,6,10b-hexahydro-2H-benzo[h][1,4]benzoxazine is 219.13 g/mol.
Where can I buy 9-methoxy-3,4,4a,5,6,10b-hexahydro-2H-benzo[h][1,4]benzoxazine?
You can request a quote for 9-methoxy-3,4,4a,5,6,10b-hexahydro-2H-benzo[h][1,4]benzoxazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-methoxy-3,4,4a,5,6,10b-hexahydro-2H-benzo[h][1,4]benzoxazine?
Yes, KEHONG BIO provides custom synthesis services for 9-methoxy-3,4,4a,5,6,10b-hexahydro-2H-benzo[h][1,4]benzoxazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.