[email protected]
CAS 1417887-91-2 Stauntosaponin A molecular structure lightbox
CAS RN: 1417887-91-2

Stauntosaponin A

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 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS1417887-91-2
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1417887-91-2 / (2R,3R,4R,6R)-6-[[(1R,4R,5R,8S,16S,19S,22R)-5,19-dimethyl-15,18,20-trioxahexacyclo[14.5.1.01,14.04,13.05,10.019,22]docosa-9,11,13-trien-8-yl]oxy]-4-methoxy-2-methyloxan-3-ol

Standard CAS: 1417887-91-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1417887-91-2
Multi CAS
No
Molecular Formula
C28H38O7
Molecular Weight
486.600000
Exact Mass
486.261754
SMILES
C[C@@H]1[C@H]([C@@H](C[C@@H](O1)O[C@H]2CC[C@@]3([C@H]4CC[C@]56CO[C@@]7([C@H]5[C@@H](CO7)OC6=C4C=CC3=C2)C)C)OC)O
InChI
InChI=1S/C28H38O7/c1-15-23(29)20(30-4)12-22(33-15)34-17-7-9-26(2)16(11-17)5-6-18-19(26)8-10-28-14-32-27(3)24(28)21(13-31-27)35-25(18)28/h5-6,11,15,17,19-24,29H,7-10,12-14H2,1-4H3/t15-,17+,19+,20-,21-,22+,23-,24-,26+,27-,28+/m1/s1
InChIKey
KNFHQIUXHMJLPI-IXHFUHRASA-N

Computed Properties

Structural Parameters

Heavy atom count
35
Fraction Csp3
0.79
Rotatable bonds
3
H-bond acceptors
7
H-bond donors
1
Molar refractivity
126.05
TPSA
75.61

LogP / Solubility

WLOGP
3.62
MLOGP
3.22
XLogP3
2.4
Consensus LogP
3.08
Log S (ESOL)
-4.94
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.16
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.19
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.12

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us