[email protected]
CAS 25514-31-2 bruceine A molecular structure lightbox
CAS RN: 25514-31-2

bruceine A

Product Availability

Choose a grade to view its available package options.

6 package records6 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250927 5mg / 25mg / 100mg Confirm by inquiry Shanghai, Shandong 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250102 10mg In stock Shanghai Inquiry
Batchno.20250915 25mg In stock Shanghai Inquiry
Batchno.20251015 50mg In stock Shanghai Inquiry
Batchno.20260420 5mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260521 5mg / 20mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS25514-31-2
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

25514-31-2 / methyl (1R,2S,3R,6R,8R,13S,14R,15R,16S,17S)-10,15,16-trihydroxy-9,13-dimethyl-3-(3-methylbutanoyloxy)-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate

Standard CAS: 25514-31-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
25514-31-2
Multi CAS
No
Molecular Formula
C26H34O11
Molecular Weight
522.500000
Exact Mass
522.210112
SMILES
CC1=C(C(=O)C[C@]2([C@H]1C[C@@H]3[C@]45[C@@H]2[C@H]([C@@H]([C@]([C@@H]4[C@H](C(=O)O3)OC(=O)CC(C)C)(OC5)C(=O)OC)O)O)C)O
InChI
InChI=1S/C26H34O11/c1-10(2)6-15(28)37-18-20-25-9-35-26(20,23(33)34-5)21(31)17(30)19(25)24(4)8-13(27)16(29)11(3)12(24)7-14(25)36-22(18)32/h10,12,14,17-21,29-31H,6-9H2,1-5H3/t12-,14+,17+,18+,19+,20+,21-,24-,25+,26-/m0/s1
InChIKey
LPZSTPCYWWRQFU-VILODJCFSA-N

Computed Properties

Structural Parameters

Heavy atom count
37
Fraction Csp3
0.77
Rotatable bonds
4
H-bond acceptors
11
H-bond donors
3
Molar refractivity
122.51
TPSA
165.89

LogP / Solubility

WLOGP
0.6
MLOGP
0.56
XLogP3
0.7
Consensus LogP
0.62
Log S (ESOL)
-3.19
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.28
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.03
Class (SILICOS-IT)
Slightly soluble

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
No
Log Kp (skin permeation)
-5.48

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