[email protected]
CAS 81263-97-0 “ent-6,11-Dihydroxy-15-oxo-16-kauren-19-oic acid beta-D-glucopyrasyl ester” molecular structure lightbox
CAS RN: 81263-97-0

“ent-6,11-Dihydroxy-15-oxo-16-kauren-19-oic acid beta-D-glucopyrasyl ester”

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251010 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS81263-97-0
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

81263-97-0 / [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1S,4S,5R,9S,10S,13S)-3,11-dihydroxy-5,9-dimethyl-14-methylidene-15-oxotetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate

Standard CAS: 81263-97-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
81263-97-0
Multi CAS
Yes
Molecular Formula
C26H38O10
Molecular Weight
510.600000
Exact Mass
510.246497
InChI
InChI=1S/C26H38O10/c1-11-12-7-13(28)20-24(2)5-4-6-25(3,19(24)14(29)9-26(20,8-12)21(11)33)23(34)36-22-18(32)17(31)16(30)15(10-27)35-22/h12-20,22,27-32H,1,4-10H2,2-3H3/t12-,13?,14?,15-,16-,17+,18-,19+,20+,22+,24-,25-,26+/m1/s1
InChIKey
OIMCIPSRGXJJFP-GBQRWYRTSA-N

Computed Properties

Structural Parameters

Heavy atom count
36
Fraction Csp3
0.85
Rotatable bonds
3
H-bond acceptors
10
H-bond donors
6
Molar refractivity
122.84
TPSA
173.98

LogP / Solubility

WLOGP
-0.58
MLOGP
-0.47
XLogP3
0.1
Consensus LogP
-0.32
Log S (ESOL)
-2.44
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.33
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.86
Class (SILICOS-IT)
Moderately 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)
-6.25

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
10

Customers Also Viewed

Get In Touch

Contact Us