Acetylisodrimartol A
TL;DR: Acetylisodrimartol A (CAS 87758-32-5) is a chemical compound with molecular formula C28H36O7 and molecular weight 484.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,4aR,5R,8aS)-5-[(6,8-dimethoxy-2-oxochromen-7-yl)oxymethyl]-1,1,4a,6-tetramethyl-2,3,4,5,8,8a-hexahydronaphthalen-2-yl] acetate
Also Known As: Acetylisodrimartol A, Tandospirone, 2H-1-Benzopyran-2-one, 7-((6-(acetyloxy)-1,4,4a,5,6,7,8,8a-octahydro-2,5,5,8a-tetramethyl-1-naphthalenyl)methoxy)-6,8-dimethoxy-, (1R-(1alpha,4abeta,6beta,8aalpha))-, [(2S,4aR,5R,8aS)-5-[(6,8-dimethoxy-2-oxochromen-7-yl)oxymethyl]-1,1,4a,6-tetramethyl-2,3,4,5,8,8a-hexahydronaphthalen-2-yl] acetate, ((2S,4aR,5R,8aS)-5-((6,8-dimethoxy-2-oxochromen-7-yl)oxymethyl)-1,1,4a,6-tetramethyl-2,3,4,5,8,8a-hexahydronaphthalen-2-yl) acetate
| Molecular Formula | C28H36O7 |
|---|---|
| Molecular Weight | 484.25 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 80.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 484.2461 |
| Heavy Atoms | 35 |
| Complexity | 877.0 |
Chemical Identifiers
| CAS Number | 87758-32-5 |
|---|---|
| SMILES | CC1=CC[C@H]2[C@]([C@@H]1COC3=C(C=C4C=CC(=O)OC4=C3OC)OC)(CC[C@@H](C2(C)C)OC(=O)C)C |
| InChIKey | YMIXTMQQHRBULF-CNBBWRMGSA-N |
Product Overview
Acetylisodrimartol A (CAS 87758-32-5), with molecular formula C28H36O7 and molecular weight 484.25 g/mol. IUPAC: [(2S,4aR,5R,8aS)-5-[(6,8-dimethoxy-2-oxochromen-7-yl)oxymethyl]-1,1,4a,6-tetramethyl-2,3,4,5,8,8a-hexahydronaphthalen-2-yl] acetate.
Chemical Property Profile of Acetylisodrimartol A
Property Insights of Acetylisodrimartol A
The XLogP value of 5.2 indicates that Acetylisodrimartol A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetylisodrimartol A. Following Lipinski's Rule of Five, Acetylisodrimartol A has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Acetylisodrimartol A?
The CAS number of Acetylisodrimartol A is 87758-32-5.
What is the molecular formula of Acetylisodrimartol A?
The molecular formula of Acetylisodrimartol A is C28H36O7.
What is the molecular weight of Acetylisodrimartol A?
The molecular weight of Acetylisodrimartol A is 484.25 g/mol.
Where can I buy Acetylisodrimartol A?
You can request a quote for Acetylisodrimartol A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetylisodrimartol A?
Yes, KEHONG BIO provides custom synthesis services for Acetylisodrimartol A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.