[email protected]
CAS 26660-57-1 Deoxyloganin molecular structure lightbox
CAS RN: 26660-57-1

Deoxyloganin

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251030 1mg / 5mg / 10mg Confirm by inquiry Shanghai 5-7 business days Inquiry
  • Product code: starshine_CAS26660-57-1
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

26660-57-1 / methyl (1S,4aS,7S,7aR)-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate

Standard CAS: 26660-57-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
26660-57-1
Multi CAS
No
Molecular Formula
C17H26O9
Molecular Weight
374.400000
Exact Mass
374.157682
SMILES
C[C@H]1CC[C@H]2[C@@H]1[C@@H](OC=C2C(=O)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
InChI
InChI=1S/C17H26O9/c1-7-3-4-8-9(15(22)23-2)6-24-16(11(7)8)26-17-14(21)13(20)12(19)10(5-18)25-17/h6-8,10-14,16-21H,3-5H2,1-2H3/t7-,8+,10+,11+,12+,13-,14+,16-,17-/m0/s1
InChIKey
KMHXLGLJTQHEIM-OUEWTLASSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Fraction Csp3
0.82
Rotatable bonds
4
H-bond acceptors
9
H-bond donors
4
Molar refractivity
85.2
TPSA
134.91

LogP / Solubility

WLOGP
-1.12
MLOGP
-0.97
Consensus LogP
-0.7
Log S (ESOL)
-1.19
Class (ESOL)
Soluble
Log S (Ali)
-1.82
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.64
Class (SILICOS-IT)
Soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.8

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
7

Customers Also Viewed

Get In Touch

Contact Us