[email protected]
CAS 321531-64-0 DiMethyl 2-(PhenylsulfonaMido)terephthalate molecular structure lightbox
CAS RN: 321531-64-0

DiMethyl 2-(PhenylsulfonaMido)terephthalate

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250308 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-137687
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: 0.25g, 0.1g
  • Available purity: >95%
  • Inventory rows with stock: 2
  • 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 321531-64-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >95% 4 In Stock Beijing Inquiry
0.1g >95% 1 In Stock Hong Kong Inquiry

321531-64-0 / dimethyl 2-(benzenesulfonamido)benzene-1,4-dicarboxylate

Standard CAS: 321531-64-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
321531-64-0
Multi CAS
No
Molecular Formula
C16H15NO6S
Molecular Weight
349.400000
Exact Mass
349.062008
InChI
InChI=1S/C16H15NO6S/c1-22-15(18)11-8-9-13(16(19)23-2)14(10-11)17-24(20,21)12-6-4-3-5-7-12/h3-10,17H,1-2H3
InChIKey
NIAIIHQWIMCYDK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.12
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
1
Molar refractivity
86.37
TPSA
98.77

LogP / Solubility

WLOGP
2.06
MLOGP
1.83
XLogP3
2.7
Consensus LogP
2.2
Log S (ESOL)
-3.34
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.91
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.24
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.39

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

Customers Also Viewed

Get In Touch

Contact Us