[email protected]
CAS 99530-82-2 Cucurbitacin F-25-acetate, Analytical reference molecular structure lightbox
CAS RN: 99530-82-2

Cucurbitacin F-25-acetate, Analytical reference

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260430 10mg In stock Shanghai Inquiry
Batchno.20250412 1mg In stock Shanghai Inquiry
Batchno.20250707 25mg In stock Shanghai Inquiry
Batchno.20250830 50mg In stock Shanghai Inquiry
Batchno.20250101 5mg In stock Shanghai Inquiry
  • Product code: LINC889839
GET A QUOTE

99530-82-2 / [(E,6R)-6-hydroxy-2-methyl-5-oxo-6-[(2S,3S,8S,9R,10R,13R,14S,16R,17R)-2,3,16-trihydroxy-4,4,9,13,14-pentamethyl-11-oxo-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]hept-3-en-2-yl] acetate

Standard CAS: 99530-82-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
99530-82-2
Multi CAS
Yes
Molecular Formula
C32H48O8
Molecular Weight
560.700000
Exact Mass
560.334918
InChI
InChI=1S/C32H48O8/c1-17(33)40-27(2,3)13-12-23(36)32(9,39)25-21(35)15-29(6)22-11-10-18-19(14-20(34)26(38)28(18,4)5)31(22,8)24(37)16-30(25,29)7/h10,12-13,19-22,25-26,34-35,38-39H,11,14-16H2,1-9H3/b13-12+/t19-,20+,21-,22+,25+,26-,29+,30-,31+,32+/m1/s1
InChIKey
LMJMTWXDWFWZHV-OBTWUPKTSA-N

Computed Properties

Structural Parameters

Heavy atom count
40
Fraction Csp3
0.78
Rotatable bonds
5
H-bond acceptors
8
H-bond donors
4
Molar refractivity
148.77
TPSA
141.36

LogP / Solubility

WLOGP
3.29
MLOGP
2.94
XLogP3
2.5
Consensus LogP
2.91
Log S (ESOL)
-5.06
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.53
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.64
Class (SILICOS-IT)
Insoluble

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
Yes
Log Kp (skin permeation)
-3.8

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
9.5

Customers Also Viewed

Get In Touch

Contact Us