[email protected]
CAS 74556-57-3 5-(4-CHLORO-PHENOXYMETHYL)-FURAN-2-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 74556-57-3

5-(4-CHLORO-PHENOXYMETHYL)-FURAN-2-CARBOXYLIC ACID

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260529 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS74556-57-3
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

74556-57-3 / 5-[(4-chlorophenoxy)methyl]furan-2-carboxylic acid

Standard CAS: 74556-57-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
74556-57-3
Multi CAS
Yes
Molecular Formula
C12H9CLO4
Molecular Weight
252.650000
Exact Mass
252.018937
InChI
InChI=1S/C12H9ClO4/c13-8-1-3-9(4-2-8)16-7-10-5-6-11(17-10)12(14)15/h1-6H,7H2,(H,14,15)
InChIKey
MPRKNOQRXNTZGV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
11
Fraction Csp3
0.08
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
61.45
TPSA
59.67

LogP / Solubility

WLOGP
3.21
MLOGP
2.83
XLogP3
3
Consensus LogP
3.01
Log S (ESOL)
-3.64
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.95
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.45
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.98

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us