Trichorabdal B
TL;DR: Trichorabdal B (CAS 79859-42-0) is a chemical compound with molecular formula C22H28O7 and molecular weight 404.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,1'R,6R,7S,9R)-2'-formyl-7-hydroxy-1'-methyl-10-methylidene-2,11-dioxospiro[3-oxatricyclo[7.2.1.01,6]dodecane-5,3'-cyclohexane]-1'-yl]methyl acetate
Also Known As: Trichorabdal B, KST-1A8506, [(3R,4a'R,5'S,7'R,9a'R)-2-Formyl-5'-hydroxy-3-methyl-8'-methylene-1',9'-dioxohexahydrospiro[cyclohexane-1,4'-[2]oxa[7,9a]methanocyclohepta[c]pyran]-3-yl]methyl acetate, [(1R,1'R,6R,7S,9R)-2'-Formyl-7-hydroxy-1'-methyl-10-methylidene-2,11-dioxospiro[3-oxatricyclo[7.2.1.01,6]dodecane-5,3'-cyclohexane]-1'-yl]methyl acetate, (2-Formyl-5'-hydroxy-3-methyl-8'-methylidene-1',9'-dioxohexahydro-1'H,3'H-spiro[cyclohexane-1,4'-[2]oxa[7,9a]methanocyclohepta[c]pyran]-3-yl)methyl acetate
| Molecular Formula | C22H28O7 |
|---|---|
| Molecular Weight | 404.18 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 404.1835 |
| Heavy Atoms | 29 |
| Complexity | 803.0 |
Chemical Identifiers
| CAS Number | 79859-42-0 |
|---|---|
| SMILES | CC(=O)OC[C@@]1(CCCC2(C1C=O)COC(=O)[C@@]34[C@@H]2[C@H](C[C@@H](C3)C(=C)C4=O)O)C |
| InChIKey | BUJZGALXYNSLEB-LNMOHGOKSA-N |
Product Overview
Trichorabdal B (CAS 79859-42-0), with molecular formula C22H28O7 and molecular weight 404.18 g/mol. IUPAC: [(1R,1'R,6R,7S,9R)-2'-formyl-7-hydroxy-1'-methyl-10-methylidene-2,11-dioxospiro[3-oxatricyclo[7.2.1.01,6]dodecane-5,3'-cyclohexane]-1'-yl]methyl acetate.
Chemical Property Profile of Trichorabdal B
Property Insights of Trichorabdal B
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Trichorabdal B. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Trichorabdal B. Following Lipinski's Rule of Five, Trichorabdal B has 1 hydrogen bond donor(s) and 7 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 Trichorabdal B?
The CAS number of Trichorabdal B is 79859-42-0.
What is the molecular formula of Trichorabdal B?
The molecular formula of Trichorabdal B is C22H28O7.
What is the molecular weight of Trichorabdal B?
The molecular weight of Trichorabdal B is 404.18 g/mol.
Where can I buy Trichorabdal B?
You can request a quote for Trichorabdal B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trichorabdal B?
Yes, KEHONG BIO provides custom synthesis services for Trichorabdal B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.