[email protected]
CAS 1151862-69-9 Caprarioside molecular structure lightbox
CAS RN: 1151862-69-9

Caprarioside

Product Availability

Choose a grade to view its available package options.

2 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250525 1mg Out of stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260112 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS1151862-69-9
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1151862-69-9 / [(1S,4aS,5R,7S,7aS)-4a,5-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-7-yl] benzoate

Caprarioside | [(1S,4aS,5R,7S,7aS)-4a,5-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-7-yl] benzoate | orb1681176

Standard CAS: 1151862-69-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1151862-69-9
Multi CAS
Yes
Molecular Formula
C22H28O11
Molecular Weight
468.400000
Exact Mass
468.163162
SMILES
C[C@@]1(C[C@H]([C@]2([C@@H]1[C@@H](OC=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)OC(=O)C4=CC=CC=C4
InChI
InChI=1S/C22H28O11/c1-21(33-18(28)11-5-3-2-4-6-11)9-13(24)22(29)7-8-30-20(17(21)22)32-19-16(27)15(26)14(25)12(10-23)31-19/h2-8,12-17,19-20,23-27,29H,9-10H2,1H3/t12-,13-,14-,15+,16-,17-,19+,20+,21+,22-/m1/s1
InChIKey
SMCDFJHVOYELKQ-UHXGZAEASA-N
Synonyms
Caprarioside [(1S,4aS,5R,7S,7aS)-4a,5-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-7-yl] benzoate orb1681176 HY-N13109 AKOS040762753

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
6
Fraction Csp3
0.59
Rotatable bonds
5
H-bond acceptors
11
H-bond donors
6
Molar refractivity
108.19
TPSA
175.37

LogP / Solubility

WLOGP
-1.6
MLOGP
-1.38
XLogP3
-1
Consensus LogP
-1.33
Log S (ESOL)
-1.54
Class (ESOL)
Soluble
Log S (Ali)
-2.25
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.98
Class (SILICOS-IT)
Soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.71

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
8

Customers Also Viewed

Get In Touch

Contact Us