Triptogelin A-1
TL;DR: Triptogelin A-1 (CAS 15414-82-1) is a chemical compound with molecular formula C45H44O11 and molecular weight 760.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,4S,5R,6S,7S,8R,9R,12R)-12-acetyloxy-5,7,8-tribenzoyloxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecan-4-yl] benzoate
Also Known As: Triptogelin A-1, KST-1A1674, KST-1A1675, (3r,4r,5s,5as,6r,7s,9r,10r)-10-(acetyloxy)-2,2,5a,9-tetramethyloctahydro-2h-3,9a-methano-1-benzoxepine-4,5,6,7-tetrayl tetrabenzoate, 10-(Acetyloxy)-2,2,5a,9-tetramethyloctahydro-2H-3,9a-methano-1-benzoxepine-4,5,6,7-tetrayl tetrabenzoate
| Molecular Formula | C45H44O11 |
|---|---|
| Molecular Weight | 760.29 g/mol |
| LogP | 8.4 |
| Topological Polar Surface Area | 141.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 14 |
| Exact Mass | 760.2884 |
| Heavy Atoms | 56 |
| Complexity | 1450.0 |
Chemical Identifiers
| CAS Number | 15414-82-1 |
|---|---|
| SMILES | C[C@@H]1C[C@@H]([C@@H]([C@@]2(C13[C@@H]([C@@H]([C@H]([C@H]2OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)C(O3)(C)C)OC(=O)C)C)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7 |
| InChIKey | KAMRIYILCXXILS-XFGNNEDSSA-N |
Product Overview
Triptogelin A-1 (CAS 15414-82-1), with molecular formula C45H44O11 and molecular weight 760.29 g/mol. IUPAC: [(2R,4S,5R,6S,7S,8R,9R,12R)-12-acetyloxy-5,7,8-tribenzoyloxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecan-4-yl] benzoate.
Chemical Property Profile of Triptogelin A-1
Property Insights of Triptogelin A-1
The XLogP value of 8.4 indicates that Triptogelin A-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 141.0 Ų indicates high polarity, suggesting Triptogelin A-1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Triptogelin A-1 has 0 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Triptogelin A-1?
The CAS number of Triptogelin A-1 is 15414-82-1.
What is the molecular formula of Triptogelin A-1?
The molecular formula of Triptogelin A-1 is C45H44O11.
What is the molecular weight of Triptogelin A-1?
The molecular weight of Triptogelin A-1 is 760.29 g/mol.
Where can I buy Triptogelin A-1?
You can request a quote for Triptogelin A-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Triptogelin A-1?
Yes, KEHONG BIO provides custom synthesis services for Triptogelin A-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.