![CAS 385383-44-8 2-[(3-FLUOROBENZYL)SULFANYL]BENZENECARBOXYLIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB7767605(1).gif)
CAS RN: 385383-44-8
2-[(3-FLUOROBENZYL)SULFANYL]BENZENECARBOXYLIC 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.20250827 | 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS385383-44-8
- Purity/Analytical Methods: >99.0%
385383-44-8 / 2-[(3-fluorophenyl)methylsulfanyl]benzoic acid
Basic Information
CAS
385383-44-8
Multi CAS
No
Molecular Formula
C14FH11O2S
Molecular Weight
262.300000
Exact Mass
262.046379
InChI
InChI=1S/C14H11FO2S/c15-11-5-3-4-10(8-11)9-18-13-7-2-1-6-12(13)14(16)17/h1-8H,9H2,(H,16,17)
InChIKey
UFCGYCLSSJSOLK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
69.36
TPSA
37.3
LogP / Solubility
WLOGP
3.82
MLOGP
3.37
XLogP3
3.6
Consensus LogP
3.6
Log S (ESOL)
-4.1
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.47
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.01
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.61
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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