[email protected]
CAS 1353636-65-3 1-(4-CHLOROPHENYL)-3-HYDROXYCYCLOBUTANECARBOXYLIC ACID molecular structure lightbox
CAS RN: 1353636-65-3

1-(4-CHLOROPHENYL)-3-HYDROXYCYCLOBUTANECARBOXYLIC ACID

Product Availability

Choose a grade to view its available package options.

3 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251207 1g Out of stock Inquiry
Batchno.20260216 250mg Out of stock Inquiry
Batchno.20250527 5g Out of stock Inquiry
  • Product code: starshine_CAS1353636-65-3
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1353636-65-3 / 1-(4-chlorophenyl)-3-hydroxycyclobutane-1-carboxylic acid

Standard CAS: 1353636-65-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1353636-65-3
Multi CAS
No
Molecular Formula
C11H11ClO3
Molecular Weight
226.650000
Exact Mass
226.039672
SMILES
C1C(CC1(C2=CC=C(C=C2)Cl)C(=O)O)O
InChI
InChI=1S/C11H11ClO3/c12-8-3-1-7(2-4-8)11(10(14)15)5-9(13)6-11/h1-4,9,13H,5-6H2,(H,14,15)
InChIKey
PQVUQOBVSQOFKH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
56.01
TPSA
57.53

LogP / Solubility

WLOGP
1.82
MLOGP
1.6
XLogP3
1.7
Consensus LogP
1.71
Log S (ESOL)
-2.55
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.73
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.88
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.81

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