[email protected]
CAS 29118-80-7 syringopicroside molecular structure lightbox
CAS RN: 29118-80-7

syringopicroside

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251208 10mg / 25mg / 50mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS29118-80-7
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

29118-80-7 / 2-(4-hydroxyphenyl)ethyl (1S,4aS,7R,7aS)-7-methyl-6-oxo-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,7,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate

Standard CAS: 29118-80-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
29118-80-7
Multi CAS
Yes
Molecular Formula
C24H30O11
Molecular Weight
494.500000
Exact Mass
494.178812
InChI
InChI=1S/C24H30O11/c1-11-16(27)8-14-15(22(31)32-7-6-12-2-4-13(26)5-3-12)10-33-23(18(11)14)35-24-21(30)20(29)19(28)17(9-25)34-24/h2-5,10-11,14,17-21,23-26,28-30H,6-9H2,1H3/t11-,14+,17+,18+,19+,20-,21+,23-,24-/m0/s1
InChIKey
VBXLWOOOZVFVNF-MUNFHUKUSA-N

Computed Properties

Structural Parameters

Heavy atom count
35
Aromatic heavy atom count
6
Fraction Csp3
0.58
Rotatable bonds
7
H-bond acceptors
11
H-bond donors
5
Molar refractivity
116.35
TPSA
172.21

LogP / Solubility

WLOGP
-0.62
MLOGP
-0.51
XLogP3
-0.1
Consensus LogP
-0.41
Log S (ESOL)
-2.18
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.16
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.2
Class (SILICOS-IT)
Poorly 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)
-6.18

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
7.5

Customers Also Viewed

Get In Touch

Contact Us