[email protected]
CAS 19865-76-0 ALISOL ACETATE B molecular structure lightbox
CAS RN: 19865-76-0

ALISOL ACETATE B

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260213 5mg / 25mg / 50mg Confirm by inquiry Shanghai, Guangdong Inquiry
  • Product code: starshine_CAS19865-76-0
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

19865-76-0 / [(4S,6R)-6-[(5R,8S,9S,10S,11S,14R)-11-hydroxy-4,4,8,10,14-pentamethyl-3-oxo-1,2,5,6,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-3-oxoheptan-4-yl] acetate

Standard CAS: 19865-76-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
19865-76-0
Multi CAS
No
Molecular Formula
C32H50O5
Molecular Weight
514.700000
Exact Mass
514.365825
SMILES
C[C@H](C[C@@H](C(=O)C(C)C)OC(=O)C)C1=C2C[C@@H]([C@H]3[C@]4(CCC(=O)C([C@@H]4CC[C@@]3([C@]2(CC1)C)C)(C)C)C)O
InChI
InChI=1S/C32H50O5/c1-18(2)27(36)24(37-20(4)33)16-19(3)21-10-14-31(8)22(21)17-23(34)28-30(7)13-12-26(35)29(5,6)25(30)11-15-32(28,31)9/h18-19,23-25,28,34H,10-17H2,1-9H3/t19-,23+,24+,25+,28+,30+,31+,32+/m1/s1
InChIKey
ZWRMEASRJNFYBK-LGWPWJFFSA-N

Computed Properties

Structural Parameters

Heavy atom count
37
Fraction Csp3
0.84
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
1
Molar refractivity
144.62
TPSA
80.67

LogP / Solubility

WLOGP
6.46
MLOGP
5.72
XLogP3
5.9
Consensus LogP
6.03
Log S (ESOL)
-6.7
Class (ESOL)
Insoluble
Log S (Ali)
-8.44
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.09
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.27

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
8.5

Customers Also Viewed

Get In Touch

Contact Us