[email protected]
CAS 152175-76-3 Forrestin A molecular structure lightbox
CAS RN: 152175-76-3

Forrestin 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.20251223 1mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS152175-76-3
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

152175-76-3 / [(1R,2R,3R,4S,6S,8S,9R,10R,11S,13S,15R)-2,3,8,15-tetraacetyloxy-6-hydroxy-5,5,9-trimethyl-14-methylidene-11-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate

Standard CAS: 152175-76-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
152175-76-3
Multi CAS
No
Molecular Formula
C30H42O11
Molecular Weight
578.600000
Exact Mass
578.272712
SMILES
CC(=O)O[C@H]1C[C@@H]2C[C@@]3([C@H]1[C@]4([C@H](C[C@@H](C([C@@H]4[C@H]([C@@H]3OC(=O)C)OC(=O)C)(C)C)O)OC(=O)C)C)[C@@H](C2=C)OC(=O)C
InChI
InChI=1S/C30H42O11/c1-13-19-10-20(37-14(2)31)24-29(9)22(38-15(3)32)11-21(36)28(7,8)25(29)23(39-16(4)33)27(41-18(6)35)30(24,12-19)26(13)40-17(5)34/h19-27,36H,1,10-12H2,2-9H3/t19-,20+,21+,22+,23-,24-,25+,26-,27+,29-,30-/m1/s1
InChIKey
IBZKZJFIBDPMSV-XKIVFHDSSA-N

Computed Properties

Structural Parameters

Heavy atom count
41
Fraction Csp3
0.77
Rotatable bonds
5
H-bond acceptors
11
H-bond donors
1
Molar refractivity
141.56
TPSA
151.73

LogP / Solubility

WLOGP
2.65
MLOGP
2.38
XLogP3
2.3
Consensus LogP
2.44
Log S (ESOL)
-4.77
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.22
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.22
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)
-4.37

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