Triptobenzene H
TL;DR: Triptobenzene H (CAS 146900-55-2) is a chemical compound with molecular formula C21H28O4 and molecular weight 344.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-hydroxy-8-methoxy-1,4a-dimethyl-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthrene-2-carboxylic acid
Also Known As: Triptobenzene H, 5-Hydroxy-7-isopropyl-8-methoxy-1,4a-dimethyl-3,4,4a,9,10,10a-hexahydro-2-phenanthrenecarboxylic acid, 5-hydroxy-7-isopropyl-8-methoxy-1,4a-dimethyl-4,9,10,10a-tetrahydro-3H-phenanthrene-2-carboxylic acid, (4aS,10aS)-5-hydroxy-8-methoxy-1,4a-dimethyl-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthrene-2-carboxylic acid, 5-hydroxy-8-methoxy-1,4a-dimethyl-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthrene-2-carboxylic acid
| Molecular Formula | C21H28O4 |
|---|---|
| Molecular Weight | 344.20 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 344.19876 |
| Heavy Atoms | 25 |
| Complexity | 566.0 |
Chemical Identifiers
| CAS Number | 146900-55-2 |
|---|---|
| SMILES | CC1=C(CCC2(C1CCC3=C(C(=CC(=C32)O)C(C)C)OC)C)C(=O)O |
| InChIKey | NZQIHCWNAMEWEW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Triptobenzene H (CAS 146900-55-2), with molecular formula C21H28O4 and molecular weight 344.20 g/mol. IUPAC: 5-hydroxy-8-methoxy-1,4a-dimethyl-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthrene-2-carboxylic acid.
Chemical Property Profile of Triptobenzene H
Property Insights of Triptobenzene H
The XLogP value of 4.5 indicates that Triptobenzene H is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Triptobenzene H. Following Lipinski's Rule of Five, Triptobenzene H has 2 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 Triptobenzene H?
The CAS number of Triptobenzene H is 146900-55-2.
What is the molecular formula of Triptobenzene H?
The molecular formula of Triptobenzene H is C21H28O4.
What is the molecular weight of Triptobenzene H?
The molecular weight of Triptobenzene H is 344.20 g/mol.
Where can I buy Triptobenzene H?
You can request a quote for Triptobenzene H directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Triptobenzene H?
Yes, KEHONG BIO provides custom synthesis services for Triptobenzene H and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.