[email protected]
CAS 1245644-35-2 2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylbenzoic acid molecular structure lightbox
CAS RN: 1245644-35-2

2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylbenzoic acid

Product Availability

Available package options are listed below.

3 package records2 with current stock
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260612 1g In stock Shanghai Inquiry
Batchno.20260123 25g Out of stock 8-10 business days Inquiry
Batchno.20250911 5g In stock Shanghai, Shandong Inquiry
  • Product code: SSC-028453
GET A QUOTE
Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 25g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1245644-35-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Shenzhen Inquiry

1245644-35-2 / 2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylbenzoic acid

Standard CAS: 1245644-35-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1245644-35-2
Multi CAS
No
Molecular Formula
C15H22N2O5S
Molecular Weight
342.400000
Exact Mass
342.124943
SMILES
CCN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OCC)C(=O)O
InChI
InChI=1S/C15H22N2O5S/c1-3-16-7-9-17(10-8-16)23(20,21)12-5-6-14(22-4-2)13(11-12)15(18)19/h5-6,11H,3-4,7-10H2,1-2H3,(H,18,19)
InChIKey
UEQCATIDIDTXNZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
1
Molar refractivity
85.44
TPSA
87.15

LogP / Solubility

WLOGP
1.11
MLOGP
0.99
XLogP3
-1.2
Consensus LogP
0.3
Log S (ESOL)
-2.46
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.17
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.53
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.02

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