Tagitinin A
TL;DR: Tagitinin A (CAS 59979-61-2) is a chemical compound with molecular formula C19H28O7 and molecular weight 368.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,2S,4R,8S,9R,11R,12S)-1,12-dihydroxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradecan-9-yl] 2-methylpropanoate
Also Known As: tagitinin A, MEGxp0_000075, ACon0_000437, ACon1_000272, BRD-K83245091-001-01-4
| Molecular Formula | C19H28O7 |
|---|---|
| Molecular Weight | 368.18 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 368.1835 |
| Heavy Atoms | 26 |
| Complexity | 629.0 |
Chemical Identifiers
| CAS Number | 59979-61-2 |
|---|---|
| SMILES | C[C@H]1C[C@@H]2[C@@H]([C@@H](C[C@@]3([C@H](C[C@]1(O3)O)O)C)OC(=O)C(C)C)C(=C)C(=O)O2 |
| InChIKey | HREHFPZHVCNOMQ-XNNFIIJVSA-N |
Product Overview
Tagitinin A (CAS 59979-61-2), with molecular formula C19H28O7 and molecular weight 368.18 g/mol. IUPAC: [(1R,2S,4R,8S,9R,11R,12S)-1,12-dihydroxy-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 A
Property Insights of Tagitinin A
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tagitinin A. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Tagitinin A. Following Lipinski's Rule of Five, Tagitinin A has 2 hydrogen bond donor(s) and 7 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 A?
The CAS number of Tagitinin A is 59979-61-2.
What is the molecular formula of Tagitinin A?
The molecular formula of Tagitinin A is C19H28O7.
What is the molecular weight of Tagitinin A?
The molecular weight of Tagitinin A is 368.18 g/mol.
Where can I buy Tagitinin A?
You can request a quote for Tagitinin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tagitinin A?
Yes, KEHONG BIO provides custom synthesis services for Tagitinin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.