Cynatratoside A
TL;DR: Cynatratoside A (CAS 97399-96-7) is a chemical compound with molecular formula C28H40O8 and molecular weight 504.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-5,19-dimethyl-15,18,20-trioxapentacyclo[14.5.1.04,13.05,10.019,22]docosa-1(21),10-dien-14-one
Also Known As: Cynatratoside A, 4CN-3197, 8-(5-Hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-5,19-dimethyl-15,18,20-trioxapentacyclo[14.5.1.04,13.05,10.019,22]docosa-1(21),10-dien-14-one, (2aR,4aS,6aR,10S,12aR,12bS,14bR)-2a,12a-Dimethyl-6-oxo-2a,4,4a,6a,7,9,10,11,12,12a,12b,13,14,14b-tetradecahydro-6H-2,3,5-trioxapentaleno[1',6':5,6,7]cyclonona[1,2-a]naphthalen-10-yl 2,6-dideoxy-3-O-methyl-beta-D-arabino-hexopyranoside, 2a,12a-dimethyl-6-oxo-2a,4,4a,6a,7,9,10,11,12,12a,12b,13,14,14b-tetradecahydro-6H-2,3,5-trioxapentaleno[1',6':5,6,7]cyclonona[1,2-a]naphthalen-10-yl 2,6-dideoxy-3-O-methylhexopyranoside
| Molecular Formula | C28H40O8 |
|---|---|
| Molecular Weight | 504.27 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 504.2723 |
| Heavy Atoms | 36 |
| Complexity | 946.0 |
Chemical Identifiers
| CAS Number | 97399-96-7 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2CCC3(C4CCC5=COC6(C5C(CO6)OC(=O)C4CC=C3C2)C)C)OC)O |
| InChIKey | QANVGLGBLJFUIP-UHFFFAOYSA-N |
Product Overview
Cynatratoside A (CAS 97399-96-7), with molecular formula C28H40O8 and molecular weight 504.27 g/mol. IUPAC: 8-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-5,19-dimethyl-15,18,20-trioxapentacyclo[14.5.1.04,13.05,10.019,22]docosa-1(21),10-dien-14-one.
Chemical Property Profile of Cynatratoside A
Property Insights of Cynatratoside A
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cynatratoside A. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Cynatratoside A. Following Lipinski's Rule of Five, Cynatratoside A has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cynatratoside A?
The CAS number of Cynatratoside A is 97399-96-7.
What is the molecular formula of Cynatratoside A?
The molecular formula of Cynatratoside A is C28H40O8.
What is the molecular weight of Cynatratoside A?
The molecular weight of Cynatratoside A is 504.27 g/mol.
Where can I buy Cynatratoside A?
You can request a quote for Cynatratoside A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cynatratoside A?
Yes, KEHONG BIO provides custom synthesis services for Cynatratoside A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.