[email protected]
CAS 52613-28-2 Deacetyl asperulosidic acid methyl ester molecular structure lightbox
CAS RN: 52613-28-2

Deacetyl asperulosidic acid methyl ester

Product Availability

Choose a grade to view its available package options.

3 package records2 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250522 1ml In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260606 10mg Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260119 5mg In stock Shanghai, Shandong Inquiry
  • Product code: starshine_CAS52613-28-2
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

52613-28-2 / methyl 5-hydroxy-7-(hydroxymethyl)-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate

Standard CAS: 52613-28-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
52613-28-2
Multi CAS
Yes
Molecular Formula
C17H24O11
Molecular Weight
404.400000
Exact Mass
404.131862
InChI
InChI=1S/C17H24O11/c1-25-15(24)7-5-26-16(10-6(3-18)2-8(20)11(7)10)28-17-14(23)13(22)12(21)9(4-19)27-17/h2,5,8-14,16-23H,3-4H2,1H3/t8-,9+,10+,11-,12+,13-,14+,16-,17-/m0/s1
InChIKey
WSGPLSDARZNMCW-FCVLBCLDSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Fraction Csp3
0.71
Rotatable bonds
5
H-bond acceptors
11
H-bond donors
6
Molar refractivity
87.98
TPSA
175.37

LogP / Solubility

WLOGP
-3.26
MLOGP
-2.84
XLogP3
-3.5
Consensus LogP
-3.2
Log S (ESOL)
0.04
Class (ESOL)
Highly soluble
Log S (Ali)
-0.52
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.18
Class (SILICOS-IT)
Very 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)
-7.5

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7

Customers Also Viewed

Get In Touch

Contact Us