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CAS 364609-04-1 5-(2-CHLORO-PHENOXYMETHYL)-FURAN-2-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 364609-04-1

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

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250816 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS364609-04-1
  • Purity/Analytical Methods: >99.0%
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364609-04-1 / 5-[(2-chlorophenoxy)methyl]furan-2-carboxylic acid

Standard CAS: 364609-04-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
364609-04-1
Multi CAS
No
Molecular Formula
C12H9CLO4
Molecular Weight
252.650000
Exact Mass
252.018937
InChI
InChI=1S/C12H9ClO4/c13-9-3-1-2-4-10(9)16-7-8-5-6-11(17-8)12(14)15/h1-6H,7H2,(H,14,15)
InChIKey
DLWYYIUBVKLTQZ-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

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