[email protected]
CAS 3893-01-4 2,3-DIMETHOXYBENZYL CHLORIDE molecular structure lightbox
CAS RN: 3893-01-4

2,3-DIMETHOXYBENZYL CHLORIDE

Product Availability

Choose a grade to view its available package options.

2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250324 1g In stock Inquiry
Batchno.20251228 250mg In stock Inquiry
  • Product code: starshine_CAS3893-01-4
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

3893-01-4 / 1-(chloromethyl)-2,3-dimethoxybenzene

Standard CAS: 3893-01-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
3893-01-4
Multi CAS
No
Molecular Formula
C9H11CLO2
Molecular Weight
186.630000
Exact Mass
186.044757
InChI
InChI=1S/C9H11ClO2/c1-11-8-5-3-4-7(6-10)9(8)12-2/h3-5H,6H2,1-2H3
InChIKey
MJRVJLUCLPUZER-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
49.1
TPSA
18.46

LogP / Solubility

WLOGP
2.44
MLOGP
2.15
XLogP3
2.3
Consensus LogP
2.3
Log S (ESOL)
-2.71
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.85
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.26
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)
-2.12

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us