[email protected]
CAS 302911-88-2 5-(2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL)-& molecular structure lightbox
CAS RN: 302911-88-2

5-(2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL)-&

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250514 10g In stock Shanghai Inquiry
Batchno.20250618 1g In stock Shanghai Inquiry
Batchno.20251027 5g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250730 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS302911-88-2
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

302911-88-2 / 5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carboxylic acid

Standard CAS: 302911-88-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
302911-88-2
Multi CAS
No
Molecular Formula
C12H6CLF3O3
Molecular Weight
290.620000
Exact Mass
289.995756
InChI
InChI=1S/C12H6ClF3O3/c13-8-2-1-6(12(14,15)16)5-7(8)9-3-4-10(19-9)11(17)18/h1-5H,(H,17,18)
InChIKey
SSIFVNBQAZVYCS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
11
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
61.12
TPSA
50.44

LogP / Solubility

WLOGP
4.32
MLOGP
3.81
XLogP3
4
Consensus LogP
4.04
Log S (ESOL)
-4.66
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.06
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.37
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)
-1.43

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us