Tagitinin D
TL;DR: Tagitinin D (CAS 56377-72-1) is a chemical compound with molecular formula C19H28O6 and molecular weight 352.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-hydroxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradecan-9-yl) 2-methylpropanoate
Also Known As: Tirotundin, Tagitinin D, Titrotundine, Tirotundine, TAGITININ-D
| Molecular Formula | C19H28O6 |
|---|---|
| Molecular Weight | 352.19 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 82.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 352.1886 |
| Heavy Atoms | 25 |
| Complexity | 599.0 |
Chemical Identifiers
| CAS Number | 56377-72-1 |
|---|---|
| SMILES | CC1CC2C(C(CC3(CCC1(O3)O)C)OC(=O)C(C)C)C(=C)C(=O)O2 |
| InChIKey | VKWNXJLVNFOOOS-UHFFFAOYSA-N |
Product Overview
Tagitinin D (CAS 56377-72-1), with molecular formula C19H28O6 and molecular weight 352.19 g/mol. IUPAC: (1-hydroxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradecan-9-yl) 2-methylpropanoate.
Chemical Property Profile of Tagitinin D
Property Insights of Tagitinin D
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tagitinin D. The TPSA of 82.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Tagitinin D. Following Lipinski's Rule of Five, Tagitinin D has 1 hydrogen bond donor(s) and 6 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 Tagitinin D?
The CAS number of Tagitinin D is 56377-72-1.
What is the molecular formula of Tagitinin D?
The molecular formula of Tagitinin D is C19H28O6.
What is the molecular weight of Tagitinin D?
The molecular weight of Tagitinin D is 352.19 g/mol.
Where can I buy Tagitinin D?
You can request a quote for Tagitinin D directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tagitinin D?
Yes, KEHONG BIO provides custom synthesis services for Tagitinin D and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.