[email protected]
CAS 1000890-01-6 (E)-2-Acetoxy-2’-bromo-5’-chlorostilbene molecular structure lightbox
CAS RN: 1000890-01-6

(E)-2-Acetoxy-2’-bromo-5’-chlorostilbene

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250331 100mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1000890-01-6
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1000890-01-6 / [2-[(E)-2-(2-bromo-5-chlorophenyl)ethenyl]phenyl] acetate

1000890-01-6 | (E)-2-Acetoxy-2'-bromo-5'-chlorostilbene | Acetic acid 2-[2-(2-bromo-5-chloro-phenyl)-vinyl]-phenyl ester

Standard CAS: 1000890-01-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1000890-01-6
Multi CAS
Yes
Molecular Formula
C16H12BrClO2
Molecular Weight
351.620000
Exact Mass
349.970920
SMILES
CC(=O)OC1=CC=CC=C1/C=C/C2=C(C=CC(=C2)Cl)Br
InChI
InChI=1S/C16H12BrClO2/c1-11(19)20-16-5-3-2-4-12(16)6-7-13-10-14(18)8-9-15(13)17/h2-10H,1H3/b7-6+
InChIKey
HLFSLKCOGBEHAK-VOTSOKGWSA-N
Synonyms
1000890-01-6 (E)-2-Acetoxy-2'-bromo-5'-chlorostilbene Acetic acid 2-[2-(2-bromo-5-chloro-phenyl)-vinyl]-phenyl ester [2-[(E)-2-(2-bromo-5-chlorophenyl)ethenyl]phenyl] acetate 2-[(1E)-2-(2-Bromo-5-chlorophenyl)ethenyl]phenol 1-Acetate

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.06
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
85.83
TPSA
26.3

LogP / Solubility

WLOGP
5.2
MLOGP
4.59
XLogP3
5.3
Consensus LogP
5.03
Log S (ESOL)
-5.54
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.2
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.62
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.17

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us