Scopadulcic acid B
TL;DR: Scopadulcic acid B (CAS 13177-49-6) is a chemical compound with molecular formula C27H34O5 and molecular weight 438.24063 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 8-benzoyloxy-2,13-dimethyl-12-oxotetracyclo[11.2.1.01,10.02,7]hexadecane-6-carboxylate
Also Known As: Scopadulcic acid B, methyl 5-(benzoyloxy)-9,11b-dimethyl-8-oxotetradecahydro-9,11a-methanocyclohepta[a]naphthalene-4-carboxylate, Octadecyldimethyl(3-sulfopropyl)ammonium Hydroxide Inner Salt, 9,11a-Methano-11aH-cyclohepta[a]naphthalene-4-carboxylicacid, 5-(benzoyloxy)tetradecahydro-4,9,11b-trimethyl-8-oxo-,(4R,4aR,5R,6aS,9S,11aS,11bS)-, Methyl 8-benzoyloxy-2,13-dimethyl-12-oxotetracyclo[11.2.1.01,10.02,7]hexadecane-6-carboxylate
Technical Specifications
| Molecular Formula | C27H34O5 |
| Molecular Weight | 438.24063 g/mol |
| XLogP | 5.2 |
| Topological Polar Surface Area (TPSA) | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 438.24063 Da |
| Heavy Atoms | 32 |
| Complexity | 800.0 |
| SMILES | CC12CCC3(C1)C(CC(C4C3(CCCC4C(=O)OC)C)OC(=O)C5=CC=CC=C5)CC2=O |
| InChIKey | XWERFIQAQACZCX-UHFFFAOYSA-N |
Chemical Property Profile of Scopadulcic acid B
Property Insights of Scopadulcic acid B
The XLogP value of 5.2 indicates that Scopadulcic acid B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Scopadulcic acid B. Following Lipinski's Rule of Five, Scopadulcic acid B has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Scopadulcic acid B?
The CAS number of Scopadulcic acid B is 13177-49-6.
What is the molecular formula of Scopadulcic acid B?
The molecular formula of Scopadulcic acid B is C27H34O5.
What is the molecular weight of Scopadulcic acid B?
The molecular weight of Scopadulcic acid B is 438.24063 g/mol.
Where can I buy Scopadulcic acid B?
You can request a quote for Scopadulcic acid B directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Scopadulcic acid B?
Yes, CoreyChem provides custom synthesis services for Scopadulcic acid B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.