Tagitinim C
TL;DR: Tagitinim C (CAS 59979-56-5) is a chemical compound with molecular formula C19H24O6 and molecular weight 348.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3aR,4R,6R,7Z,10Z,11aR)-6-hydroxy-6,10-dimethyl-3-methylidene-2,9-dioxo-3a,4,5,11a-tetrahydrocyclodeca[b]furan-4-yl] 2-methylpropanoate
Also Known As: tagitinin C, Tagitinim C, HY-N12535, Propanoic acid, 2-methyl-, 2,3,3a,4,5,6,9,11a-octahydro-6-hydroxy-6,10-dimethyl-3-methylene-2,9-dioxocyclodeca(b)furan-4-yl ester, (3aR-(3aR*,4R*,6R*,7E,10Z,11aR*))-, (4R,6R,7E,10Z)-2,3,3abeta,4,5,6,9,11aalpha-Octahydro-3-methylene-6-hydroxy-2,9-dioxo-4-(2-methylpropanoyloxy)-6,10-dimethylcyclodeca[b]furan
| Molecular Formula | C19H24O6 |
|---|---|
| Molecular Weight | 348.16 g/mol |
| LogP | 1.8783 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 348.1573 |
| Heavy Atoms | 25 |
| Complexity | 667.4018 |
Chemical Identifiers
| CAS Number | 59979-56-5 |
|---|---|
| SMILES | C/C/1=C/[C@@H]2[C@@H]([C@@H](C[C@@](/C=C\C1=O)(C)O)OC(=O)C(C)C)C(=C)C(=O)O2 |
Product Overview
Tagitinim C (CAS 59979-56-5), with molecular formula C19H24O6 and molecular weight 348.16 g/mol. IUPAC: [(3aR,4R,6R,7Z,10Z,11aR)-6-hydroxy-6,10-dimethyl-3-methylidene-2,9-dioxo-3a,4,5,11a-tetrahydrocyclodeca[b]furan-4-yl] 2-methylpropanoate.
Chemical Property Profile of Tagitinim C
Property Insights of Tagitinim C
The XLogP value of 1.8783 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tagitinim C. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Tagitinim C. Following Lipinski's Rule of Five, Tagitinim C 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 Tagitinim C?
The CAS number of Tagitinim C is 59979-56-5.
What is the molecular formula of Tagitinim C?
The molecular formula of Tagitinim C is C19H24O6.
What is the molecular weight of Tagitinim C?
The molecular weight of Tagitinim C is 348.16 g/mol.
Where can I buy Tagitinim C?
You can request a quote for Tagitinim C directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tagitinim C?
Yes, KEHONG BIO provides custom synthesis services for Tagitinim C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.