[email protected]
CAS 81910-41-0 Momordicoside I aglycone molecular structure lightbox
CAS RN: 81910-41-0

Momordicoside I aglycone

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260502 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS81910-41-0
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

81910-41-0 / 8-(6-hydroxy-6-methylhept-4-en-2-yl)-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-2-en-16-ol

Standard CAS: 81910-41-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
81910-41-0
Multi CAS
Yes
Molecular Formula
C30H48O3
Molecular Weight
456.700000
Exact Mass
456.360345
InChI
InChI=1S/C30H48O3/c1-20(9-8-14-25(2,3)32)21-12-15-28(7)22-13-16-30-23(10-11-24(31)26(30,4)5)29(22,19-33-30)18-17-27(21,28)6/h8,13-14,16,20-24,31-32H,9-12,15,17-19H2,1-7H3/b14-8+/t20-,21-,22+,23+,24+,27-,28+,29+,30-/m1/s1
InChIKey
GDWGKJJMMBZZDX-ITPHIMIFSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Fraction Csp3
0.87
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
133.65
TPSA
49.69

LogP / Solubility

WLOGP
6.29
MLOGP
5.57
XLogP3
6.2
Consensus LogP
6.02
Log S (ESOL)
-6.37
Class (ESOL)
Insoluble
Log S (Ali)
-7.85
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.33
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.04

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10

Customers Also Viewed

Get In Touch

Contact Us