5H-Benzocycloheptene-2,3,5-triol, 6,7,8,9-tetrahydro-6-amino-, cis-
TL;DR: 5H-Benzocycloheptene-2,3,5-triol, 6,7,8,9-tetrahydro-6-amino-, cis- (CAS 58330-31-7) is a chemical compound with molecular formula C11H15NO3 and molecular weight 209.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5S,6R)-6-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2,3,5-triol
Also Known As: cis-6,7,8,9-Tetrahydro-6-amino-5H-benzocycloheptene-2,3,5-triol, 5H-BENZOCYCLOHEPTENE-2,3,5-TRIOL, 6,7,8,9-TETRAHYDRO-6-AMINO-, cis-, cis-2,3-Dihydroxy-6-amino-6,7,8,9-tetrahydro-5H-benzocyclohepten-5-ol, (5S,6R)-6-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2,3,5-triol, 6,7,8,9-Tetrahydro-6alpha-amino-5H-benzocycloheptene-2,3,5alpha-triol
| Molecular Formula | C11H15NO3 |
|---|---|
| Molecular Weight | 209.11 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 86.7 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 209.1052 |
| Heavy Atoms | 15 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 58330-31-7 |
|---|---|
| SMILES | C1C[C@H]([C@H](C2=CC(=C(C=C2C1)O)O)O)N |
| InChIKey | CXOMNHDKNWKHID-KCJUWKMLSA-N |
Product Overview
5H-Benzocycloheptene-2,3,5-triol, 6,7,8,9-tetrahydro-6-amino-, cis- (CAS 58330-31-7), with molecular formula C11H15NO3 and molecular weight 209.11 g/mol. IUPAC: (5S,6R)-6-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2,3,5-triol.
Chemical Property Profile of 5H-Benzocycloheptene-2,3,5-triol, 6,7,8,9-tetrahydro-6-amino-, cis-
Property Insights of 5H-Benzocycloheptene-2,3,5-triol, 6,7,8,9-tetrahydro-6-amino-, cis-
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5H-Benzocycloheptene-2,3,5-triol, 6,7,8,9-tetrahydro-6-amino-, cis-. The TPSA of 86.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 5H-Benzocycloheptene-2,3,5-triol, 6,7,8,9-tetrahydro-6-amino-, cis-. Following Lipinski's Rule of Five, 5H-Benzocycloheptene-2,3,5-triol, 6,7,8,9-tetrahydro-6-amino-, cis- has 4 hydrogen bond donor(s) and 4 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 5H-Benzocycloheptene-2,3,5-triol, 6,7,8,9-tetrahydro-6-amino-, cis-?
The CAS number of 5H-Benzocycloheptene-2,3,5-triol, 6,7,8,9-tetrahydro-6-amino-, cis- is 58330-31-7.
What is the molecular formula of 5H-Benzocycloheptene-2,3,5-triol, 6,7,8,9-tetrahydro-6-amino-, cis-?
The molecular formula of 5H-Benzocycloheptene-2,3,5-triol, 6,7,8,9-tetrahydro-6-amino-, cis- is C11H15NO3.
What is the molecular weight of 5H-Benzocycloheptene-2,3,5-triol, 6,7,8,9-tetrahydro-6-amino-, cis-?
The molecular weight of 5H-Benzocycloheptene-2,3,5-triol, 6,7,8,9-tetrahydro-6-amino-, cis- is 209.11 g/mol.
Where can I buy 5H-Benzocycloheptene-2,3,5-triol, 6,7,8,9-tetrahydro-6-amino-, cis-?
You can request a quote for 5H-Benzocycloheptene-2,3,5-triol, 6,7,8,9-tetrahydro-6-amino-, cis- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5H-Benzocycloheptene-2,3,5-triol, 6,7,8,9-tetrahydro-6-amino-, cis-?
Yes, KEHONG BIO provides custom synthesis services for 5H-Benzocycloheptene-2,3,5-triol, 6,7,8,9-tetrahydro-6-amino-, cis- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.