[email protected]
CAS 187988-48-3 5-Acetyltaxachitriene A molecular structure lightbox
CAS RN: 187988-48-3

5-Acetyltaxachitriene 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.20251207 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS187988-48-3
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

187988-48-3 / (2,5,7,9,10,13-hexaacetyloxy-8,12,15,15-tetramethyl-4-bicyclo[9.3.1]pentadeca-3,8,11-trienyl)methyl acetate

Standard CAS: 187988-48-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
187988-48-3
Multi CAS
No
Molecular Formula
C34H46O14
Molecular Weight
678.700000
Exact Mass
678.288756
SMILES
CC1=C2C(C(=C(C(CC(C(=CC(C(C2(C)C)CC1OC(=O)C)OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)C)OC(=O)C)OC(=O)C
InChI
InChI=1S/C34H46O14/c1-16-27(43-19(4)36)13-26-30(46-22(7)39)12-25(15-42-18(3)35)29(45-21(6)38)14-28(44-20(5)37)17(2)32(47-23(8)40)33(48-24(9)41)31(16)34(26,10)11/h12,26-30,33H,13-15H2,1-11H3
InChIKey
CVVZHAQTJYVJBN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
48
Fraction Csp3
0.62
Rotatable bonds
8
H-bond acceptors
14
Molar refractivity
166.16
TPSA
184.1

LogP / Solubility

WLOGP
3.74
MLOGP
3.35
XLogP3
1.1
Consensus LogP
2.73
Log S (ESOL)
-5.87
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.82
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.13
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)
-4.21

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