6H-Benzocyclohepten-6-one, 5,7,8,9-tetrahydro-2,3-dimethoxy-4-hydroxy-, oxime
TL;DR: 6H-Benzocyclohepten-6-one, 5,7,8,9-tetrahydro-2,3-dimethoxy-4-hydroxy-, oxime (CAS 50823-51-3) is a chemical compound with molecular formula C13H17NO4 and molecular weight 251.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6Z)-6-hydroxyimino-2,3-dimethoxy-5,7,8,9-tetrahydrobenzo[7]annulen-4-ol
Also Known As: 2,3-Dimethoxy-4-hydroxy-6-oximidobenzocycloheptane, 2,3-Dimethoxy-4-hydroxy-5,7,8,9-tetrahydro-6H-benzocyclohepten-6-one oxime, 6H-Benzocyclohepten-6-one, 5,7,8,9-tetrahydro-2,3-dimethoxy-4-hydroxy-, oxime, 5,7,8,9-Tetrahydro-2,3-dimethoxy-4-hydroxy-6H-benzocyclohepten-6-one oxime, (6Z)-6-hydroxyimino-2,3-dimethoxy-5,7,8,9-tetrahydrobenzo[7]annulen-4-ol
| Molecular Formula | C13H17NO4 |
|---|---|
| Molecular Weight | 251.12 g/mol |
| LogP | 2.1184 |
| Topological Polar Surface Area | 71.28 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 251.11575 |
| Heavy Atoms | 18 |
| Complexity | 482.36984 |
Chemical Identifiers
| CAS Number | 50823-51-3 |
|---|---|
| SMILES | COC1=C(C(=C2C/C(=N\O)/CCCC2=C1)O)OC |
Product Overview
6H-Benzocyclohepten-6-one, 5,7,8,9-tetrahydro-2,3-dimethoxy-4-hydroxy-, oxime (CAS 50823-51-3), with molecular formula C13H17NO4 and molecular weight 251.12 g/mol. IUPAC: (6Z)-6-hydroxyimino-2,3-dimethoxy-5,7,8,9-tetrahydrobenzo[7]annulen-4-ol.
Chemical Property Profile of 6H-Benzocyclohepten-6-one, 5,7,8,9-tetrahydro-2,3-dimethoxy-4-hydroxy-, oxime
Property Insights of 6H-Benzocyclohepten-6-one, 5,7,8,9-tetrahydro-2,3-dimethoxy-4-hydroxy-, oxime
The XLogP value of 2.1184 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6H-Benzocyclohepten-6-one, 5,7,8,9-tetrahydro-2,3-dimethoxy-4-hydroxy-, oxime. The TPSA of 71.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 6H-Benzocyclohepten-6-one, 5,7,8,9-tetrahydro-2,3-dimethoxy-4-hydroxy-, oxime. Following Lipinski's Rule of Five, 6H-Benzocyclohepten-6-one, 5,7,8,9-tetrahydro-2,3-dimethoxy-4-hydroxy-, oxime has 2 hydrogen bond donor(s) and 5 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 6H-Benzocyclohepten-6-one, 5,7,8,9-tetrahydro-2,3-dimethoxy-4-hydroxy-, oxime?
The CAS number of 6H-Benzocyclohepten-6-one, 5,7,8,9-tetrahydro-2,3-dimethoxy-4-hydroxy-, oxime is 50823-51-3.
What is the molecular formula of 6H-Benzocyclohepten-6-one, 5,7,8,9-tetrahydro-2,3-dimethoxy-4-hydroxy-, oxime?
The molecular formula of 6H-Benzocyclohepten-6-one, 5,7,8,9-tetrahydro-2,3-dimethoxy-4-hydroxy-, oxime is C13H17NO4.
What is the molecular weight of 6H-Benzocyclohepten-6-one, 5,7,8,9-tetrahydro-2,3-dimethoxy-4-hydroxy-, oxime?
The molecular weight of 6H-Benzocyclohepten-6-one, 5,7,8,9-tetrahydro-2,3-dimethoxy-4-hydroxy-, oxime is 251.12 g/mol.
Where can I buy 6H-Benzocyclohepten-6-one, 5,7,8,9-tetrahydro-2,3-dimethoxy-4-hydroxy-, oxime?
You can request a quote for 6H-Benzocyclohepten-6-one, 5,7,8,9-tetrahydro-2,3-dimethoxy-4-hydroxy-, oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6H-Benzocyclohepten-6-one, 5,7,8,9-tetrahydro-2,3-dimethoxy-4-hydroxy-, oxime?
Yes, KEHONG BIO provides custom synthesis services for 6H-Benzocyclohepten-6-one, 5,7,8,9-tetrahydro-2,3-dimethoxy-4-hydroxy-, oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.