Cimiside A
TL;DR: Cimiside A (CAS 185-69-3) is a chemical compound with molecular formula C35H56O10 and molecular weight 636.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R,4S,5R)-2-[[(2R,3S,16R,17R,18R,19R)-2,16-dihydroxy-22-(2-hydroxypropan-2-yl)-3,8,8,17,19-pentamethyl-23,24-dioxaheptacyclo[19.2.1.01,18.03,17.04,14.07,12.012,14]tetracosan-9-yl]oxy]oxane-3,4,5-triol
Also Known As: Cimiside A, KST-1A2234, 12-Hydroxycimigenol-3-O-xylopyranoside, 12beta-Hydroxycimigenol 3-(beta-D-xylopyranoside), (7r,7ar,7br,8r,13r,13as)-7,13-dihydroxy-11-(2-hydroxypropan-2-yl)-1,1,7a,8,13a-pentamethyloctadecahydro-10,12a-epoxycyclopropa[1',8a']naphtho[2',1':4,5]indeno[2,1-b]oxepin-2-yl
| Molecular Formula | C35H56O10 |
|---|---|
| Molecular Weight | 636.39 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 158.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 3 |
| Exact Mass | 636.3873 |
| Heavy Atoms | 45 |
| Complexity | 1240.0 |
Chemical Identifiers
| CAS Number | 185-69-3 |
|---|---|
| SMILES | C[C@@H]1CC2C(OC3([C@H]1[C@]4([C@@H](CC56CC57CCC(C(C7CCC6[C@@]4([C@H]3O)C)(C)C)O[C@H]8[C@@H]([C@H]([C@@H](CO8)O)O)O)O)C)O2)C(C)(C)O |
| InChIKey | JKPGINPCCVKTKQ-YCOQZNGPSA-N |
Product Overview
Cimiside A (CAS 185-69-3), with molecular formula C35H56O10 and molecular weight 636.39 g/mol. IUPAC: (2S,3R,4S,5R)-2-[[(2R,3S,16R,17R,18R,19R)-2,16-dihydroxy-22-(2-hydroxypropan-2-yl)-3,8,8,17,19-pentamethyl-23,24-dioxaheptacyclo[19.2.1.01,18.03,17.04,14.07,12.012,14]tetracosan-9-yl]oxy]oxane-3,4,5-triol.
Chemical Property Profile of Cimiside A
Property Insights of Cimiside A
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cimiside A. The TPSA of 158.0 Ų indicates high polarity, suggesting Cimiside A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cimiside A has 6 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cimiside A?
The CAS number of Cimiside A is 185-69-3.
What is the molecular formula of Cimiside A?
The molecular formula of Cimiside A is C35H56O10.
What is the molecular weight of Cimiside A?
The molecular weight of Cimiside A is 636.39 g/mol.
Where can I buy Cimiside A?
You can request a quote for Cimiside A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cimiside A?
Yes, KEHONG BIO provides custom synthesis services for Cimiside A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.