[email protected]
CAS 63484-12-8 Methyl 2-Methoxy-5-(methylsulfonyl)benzoate molecular structure lightbox
CAS RN: 63484-12-8

Methyl 2-Methoxy-5-(methylsulfonyl)benzoate

  • Product code: SSC-173170
GET A QUOTE
Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g
  • Available purity: >95%
  • Inventory rows with stock: 1
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 63484-12-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 1 In Stock Beijing Inquiry

63484-12-8 / methyl 2-methoxy-5-methylsulfonylbenzoate

Standard CAS: 63484-12-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
63484-12-8
Multi CAS
No
Molecular Formula
C10H12O5S
Molecular Weight
244.270000
Exact Mass
244.040545
InChI
InChI=1S/C10H12O5S/c1-14-9-5-4-7(16(3,12)13)6-8(9)10(11)15-2/h4-6H,1-3H3
InChIKey
DSRPTFIZJVCPPS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
57.44
TPSA
69.67

LogP / Solubility

WLOGP
0.89
MLOGP
0.78
XLogP3
0.7
Consensus LogP
0.79
Log S (ESOL)
-1.99
Class (ESOL)
Soluble
Log S (Ali)
-2.2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.34
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)
-3.58

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