[email protected]
CAS 216168-45-5 Probucol Disuccinate molecular structure lightbox
CAS RN: 216168-45-5

Probucol Disuccinate

Product Availability

Choose a grade to view its available package options.

6 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251206 5mg / 25mg Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250721 100mg In stock Shanghai Inquiry
Batchno.20251001 1g Out of stock Inquiry
Batchno.20250520 250mg In stock Shanghai Inquiry
Batchno.20250301 25mg In stock Shanghai Inquiry
Batchno.20251027 50mg In stock Shanghai Inquiry
  • Product code: starshine_CAS216168-45-5
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

216168-45-5 / 4-[2,6-ditert-butyl-4-[2-[3,5-ditert-butyl-4-(3-carboxypropanoyloxy)phenyl]sulfanylpropan-2-ylsulfanyl]phenoxy]-4-oxobutanoic acid

Standard CAS: 216168-45-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
216168-45-5
Multi CAS
No
Molecular Formula
C39H56O8S2
Molecular Weight
717.000000
Exact Mass
716.341661
SMILES
CC(C)(C)C1=CC(=CC(=C1OC(=O)CCC(=O)O)C(C)(C)C)SC(C)(C)SC2=CC(=C(C(=C2)C(C)(C)C)OC(=O)CCC(=O)O)C(C)(C)C
InChI
InChI=1S/C39H56O8S2/c1-35(2,3)25-19-23(20-26(36(4,5)6)33(25)46-31(44)17-15-29(40)41)48-39(13,14)49-24-21-27(37(7,8)9)34(28(22-24)38(10,11)12)47-32(45)18-16-30(42)43/h19-22H,15-18H2,1-14H3,(H,40,41)(H,42,43)
InChIKey
GDMOONAMTVOJQU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
49
Aromatic heavy atom count
12
Fraction Csp3
0.59
Rotatable bonds
12
H-bond acceptors
8
H-bond donors
2
Molar refractivity
198.49
TPSA
127.2

LogP / Solubility

WLOGP
10.04
MLOGP
8.9
XLogP3
10.4
Consensus LogP
9.78
Log S (ESOL)
-10
Class (ESOL)
Insoluble
Log S (Ali)
-12.69
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.09
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.03

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
4

Customers Also Viewed

Get In Touch

Contact Us