雷公藤二萜酸B
TL;DR: 雷公藤二萜酸B (CAS 17558-87-1) is a chemical compound with molecular formula C21H28O3 and molecular weight 328.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
雷公藤二萜酸B
8-methoxy-1,4a-dimethyl-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthrene-2-carboxylic acid
Also Known As: Triptoditerpenic acid B, 8-methoxy-1,4a-dimethyl-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthrene-2-carboxylic acid, 2-Phenanthrenecarboxylic acid, 3,4,4a,9,10,10a-hexahydro-8-methoxy-1,4a-dimethyl-7-(1-methylethyl)-, 2-Phenanthrenecarboxylicacid, 3,4,4a,9,10,10a-hexahydro-8-methoxy-1,4a-dimethyl-7-(1-methylethyl)-(9CI), 8-methoxy-1,4a-dimethyl-7-(propan-2-yl)-3,4,4a,9,10,10a-hexahydrophenanthrene-2-carboxylic acid
| Molecular Formula | C21H28O3 |
|---|---|
| Molecular Weight | 328.20 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 328.20386 |
| Heavy Atoms | 24 |
| Complexity | 535.0 |
Chemical Identifiers
| CAS Number | 17558-87-1 |
|---|---|
| SMILES | CC1=C(CCC2(C1CCC3=C2C=CC(=C3OC)C(C)C)C)C(=O)O |
| InChIKey | UAEUNTXALQHLMF-UHFFFAOYSA-N |
Product Overview
雷公藤二萜酸B (CAS 17558-87-1), with molecular formula C21H28O3 and molecular weight 328.20 g/mol. IUPAC: 8-methoxy-1,4a-dimethyl-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthrene-2-carboxylic acid.
Chemical Property Profile of 雷公藤二萜酸B
Property Insights of 雷公藤二萜酸B
The XLogP value of 4.8 indicates that 雷公藤二萜酸B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 雷公藤二萜酸B exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 雷公藤二萜酸B 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 雷公藤二萜酸B?
The CAS number of 雷公藤二萜酸B is 17558-87-1.
What is the molecular formula of 雷公藤二萜酸B?
The molecular formula of 雷公藤二萜酸B is C21H28O3.
What is the molecular weight of 雷公藤二萜酸B?
The molecular weight of 雷公藤二萜酸B is 328.20 g/mol.
Where can I buy 雷公藤二萜酸B?
You can request a quote for 雷公藤二萜酸B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 雷公藤二萜酸B?
Yes, KEHONG BIO provides custom synthesis services for 雷公藤二萜酸B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.