[email protected]
CAS 35599-99-6 Benzeneacetic acid, 2,3-dichloro-α-methoxy- molecular structure lightbox
CAS RN: 35599-99-6

Benzeneacetic acid, 2,3-dichloro-α-methoxy-

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250719 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS35599-99-6
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

35599-99-6 / 2-(2,3-dichlorophenyl)-2-methoxyacetic acid

Standard CAS: 35599-99-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
35599-99-6
Multi CAS
No
Molecular Formula
C9H8CL2O3
Molecular Weight
235.060000
Exact Mass
233.985050
InChI
InChI=1S/C9H8Cl2O3/c1-14-8(9(12)13)5-3-2-4-6(10)7(5)11/h2-4,8H,1H3,(H,12,13)
InChIKey
IMYXMAHJWKKFLS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
53.85
TPSA
46.53

LogP / Solubility

WLOGP
2.77
MLOGP
2.44
XLogP3
2.6
Consensus LogP
2.6
Log S (ESOL)
-3.16
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.48
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.84
Class (SILICOS-IT)
Poorly 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)
-2.19

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

Customers Also Viewed

Get In Touch

Contact Us