Sarcodictyin A
TL;DR: Sarcodictyin A (CAS 113540-81-1) is a chemical compound with molecular formula C28H36N2O6 and molecular weight 496.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1R,2E,4S,5R,9R,11S,12S)-1-hydroxy-8,12-dimethyl-11-[(E)-3-(1-methylimidazol-4-yl)prop-2-enoyl]oxy-5-propan-2-yl-15-oxatricyclo[10.2.1.04,9]pentadeca-2,7,13-triene-2-carboxylate
Also Known As: Sarcodictyin A, sarcodictyin-a, (4R,4aS,5E,7R,10S,11S,12aR)-3,4,4a,7,10,11,12,12a-Octahydro-7-hydroxy-1,10-dimethyl-4-isopropyl-11-[[(E)-3-(1-methyl-1H-imidazol-4-yl)-1-oxo-2-propenyl]oxy]-7,10-epoxybenzocyclodecene-6-carboxylic acid methyl ester, methyl (1R,2E,4S,5R,9R,11S,12S)-1-hydroxy-8,12-dimethyl-11-[(E)-3-(1-methylimidazol-4-yl)prop-2-enoyl]oxy-5-propan-2-yl-15-oxatricyclo[10.2.1.04,9]pentadeca-2,7,13-triene-2-carboxylate, methyl (1R,2E,4S,5R,9R,11S,12S)-1-hydroxy-8,12-dimethyl-11-{[(2E)-3-(1-methyl-1H-imidazol-4-yl)prop-2-enoyl]oxy}-5-(propan-2-yl)-15-oxatricyclo[10.2.1.04,9]pentadeca-2,7,13-triene-2-carboxylate
| Molecular Formula | C28H36N2O6 |
|---|---|
| Molecular Weight | 496.26 g/mol |
| LogP | 3.7365 |
| Topological Polar Surface Area | 99.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 496.25732 |
| Heavy Atoms | 36 |
| Complexity | 1144.6438 |
Chemical Identifiers
| CAS Number | 113540-81-1 |
|---|---|
| SMILES | CC1=CC[C@@H]([C@@H]/2[C@H]1C[C@@H]([C@@]3(C=C[C@@](O3)(/C(=C2)/C(=O)OC)O)C)OC(=O)/C=C/C4=CN(C=N4)C)C(C)C |
Product Overview
Sarcodictyin A (CAS 113540-81-1), with molecular formula C28H36N2O6 and molecular weight 496.26 g/mol. IUPAC: methyl (1R,2E,4S,5R,9R,11S,12S)-1-hydroxy-8,12-dimethyl-11-[(E)-3-(1-methylimidazol-4-yl)prop-2-enoyl]oxy-5-propan-2-yl-15-oxatricyclo[10.2.1.04,9]pentadeca-2,7,13-triene-2-carboxylate.
Chemical Property Profile of Sarcodictyin A
Property Insights of Sarcodictyin A
The XLogP value of 3.7365 indicates that Sarcodictyin A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.88 Ų falls within the moderate polarity range, balancing permeability and solubility for Sarcodictyin A. Following Lipinski's Rule of Five, Sarcodictyin A 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 Sarcodictyin A?
The CAS number of Sarcodictyin A is 113540-81-1.
What is the molecular formula of Sarcodictyin A?
The molecular formula of Sarcodictyin A is C28H36N2O6.
What is the molecular weight of Sarcodictyin A?
The molecular weight of Sarcodictyin A is 496.26 g/mol.
Where can I buy Sarcodictyin A?
You can request a quote for Sarcodictyin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sarcodictyin A?
Yes, KEHONG BIO provides custom synthesis services for Sarcodictyin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.