Tingenin B
TL;DR: Tingenin B (CAS 50656-68-3) is a chemical compound with molecular formula C28H36O4 and molecular weight 436.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6aS,6bS,8aR,9S,11R,12aS,14aR)-3,9-dihydroxy-4,6a,6b,8a,11,14a-hexamethyl-7,8,9,11,12,12a,13,14-octahydropicene-2,10-dione
Also Known As: Tingenin B, 22-Hydroxytingenone, 22beta-Hydroxytingenone, 22beta-Hydroxymaytenin, 22-HTG
| Molecular Formula | C28H36O4 |
|---|---|
| Molecular Weight | 436.26 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 436.26135 |
| Heavy Atoms | 32 |
| Complexity | 1070.0 |
Chemical Identifiers
| CAS Number | 50656-68-3 |
|---|---|
| SMILES | C[C@@H]1C[C@@H]2[C@@](CC[C@]3([C@]2(CC[C@@]4(C3=CC=C5C4=CC(=O)C(=C5C)O)C)C)C)([C@@H](C1=O)O)C |
| InChIKey | QIRUFAFQGKOTKA-ZRWKYKNNSA-N |
Product Overview
Tingenin B (CAS 50656-68-3), with molecular formula C28H36O4 and molecular weight 436.26 g/mol. IUPAC: (6aS,6bS,8aR,9S,11R,12aS,14aR)-3,9-dihydroxy-4,6a,6b,8a,11,14a-hexamethyl-7,8,9,11,12,12a,13,14-octahydropicene-2,10-dione.
Chemical Property Profile of Tingenin B
Property Insights of Tingenin B
The XLogP value of 4.7 indicates that Tingenin B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Tingenin B. Following Lipinski's Rule of Five, Tingenin B 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 Tingenin B?
The CAS number of Tingenin B is 50656-68-3.
What is the molecular formula of Tingenin B?
The molecular formula of Tingenin B is C28H36O4.
What is the molecular weight of Tingenin B?
The molecular weight of Tingenin B is 436.26 g/mol.
Where can I buy Tingenin B?
You can request a quote for Tingenin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tingenin B?
Yes, KEHONG BIO provides custom synthesis services for Tingenin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.