TA Oic methyl ester
TL;DR: TA Oic methyl ester (CAS 53962-32-6) is a chemical compound with molecular formula C25H31FO7 and molecular weight 462.20538 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-[(1S,2S,4S,8S,9S,11S,13S)-12-fluoro-11-hydroxy-6,6,9,13-tetramethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoacetate
Also Known As: TA Oic methyl ester, Methyl (4b-fluoro-5-hydroxy-4a,6a,8,8-tetramethyl-2-oxo-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro-6bH,8H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl)(oxo)acetate, Methyl [(4aS,5S,6aS,6bS,9aS,10aS,10bS)-4b-fluoro-5-hydroxy-4a,6a,8,8-tetramethyl-2-oxo-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro-6bH,8H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl](oxo)acetate, Methyl 2-[(1S,2S,4S,8S,9S,11S,13S)-12-fluoro-11-hydroxy-6,6,9,13-tetramethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoacetate
Technical Specifications
| Molecular Formula | C25H31FO7 |
| Molecular Weight | 462.20538 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 99.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 462.20538 Da |
| Heavy Atoms | 33 |
| Complexity | 1020.0 |
| SMILES | C[C@]12C[C@@H](C3([C@H]([C@@H]1C[C@H]4[C@]2(OC(O4)(C)C)C(=O)C(=O)OC)CCC5=CC(=O)C=C[C@@]53C)F)O |
| InChIKey | MDMRGBNICACKDW-BNXKIOECSA-N |
Chemical Property Profile of TA Oic methyl ester
Property Insights of TA Oic methyl ester
The XLogP value of 3.2 indicates that TA Oic methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.1 Ų falls within the moderate polarity range, balancing permeability and solubility for TA Oic methyl ester. Following Lipinski's Rule of Five, TA Oic methyl ester has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of TA Oic methyl ester?
The CAS number of TA Oic methyl ester is 53962-32-6.
What is the molecular formula of TA Oic methyl ester?
The molecular formula of TA Oic methyl ester is C25H31FO7.
What is the molecular weight of TA Oic methyl ester?
The molecular weight of TA Oic methyl ester is 462.20538 g/mol.
Where can I buy TA Oic methyl ester?
You can request a quote for TA Oic methyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for TA Oic methyl ester?
Yes, CoreyChem provides custom synthesis services for TA Oic methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.