![CAS 1007572-07-7 [4-BROMO-3-(3-CHLORO-5-CYANOPHENOXY)-2-FLUOROPHENYL]ACETIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1007572-07-7.gif)
CAS RN: 1007572-07-7
[4-BROMO-3-(3-CHLORO-5-CYANOPHENOXY)-2-FLUOROPHENYL]ACETIC ACID
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250515 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1007572-07-7
- Purity/Analytical Methods: >99.0%
1007572-07-7 / 2-[4-bromo-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]acetic acid
[4-bromo-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]acetic acid | 2-(4-Bromo-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl)acetic acid | 2-[4-bromo-3-(3-chloro-5-cyano-phenoxy)-2-fluoro-phenyl]acetic acid
Basic Information
CAS
1007572-07-7
Multi CAS
No
Molecular Formula
C15H8BrClFNO3
Molecular Weight
384.580000
Exact Mass
382.936010
SMILES
C1=CC(=C(C(=C1CC(=O)O)F)OC2=CC(=CC(=C2)C#N)Cl)Br
InChI
InChI=1S/C15H8BrClFNO3/c16-12-2-1-9(5-13(20)21)14(18)15(12)22-11-4-8(7-19)3-10(17)6-11/h1-4,6H,5H2,(H,20,21)
InChIKey
VEPZSBUSOHVSRO-UHFFFAOYSA-N
Synonyms
[4-bromo-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]acetic acid
2-(4-Bromo-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl)acetic acid
2-[4-bromo-3-(3-chloro-5-cyano-phenoxy)-2-fluoro-phenyl]acetic acid
MFCD29035128
2-[4-Bromo-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]acetic Acid
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
81.68
TPSA
70.32
LogP / Solubility
WLOGP
4.53
MLOGP
4.01
XLogP3
4.1
Consensus LogP
4.21
Log S (ESOL)
-5.22
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.99
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.4
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.85
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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