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CAS 22288-79-5 METHYL 3-(ACETYLAMINO)-2-THIOPHENECARBOXYLATE molecular structure lightbox
CAS RN: 22288-79-5

METHYL 3-(ACETYLAMINO)-2-THIOPHENECARBOXYLATE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260130 1g / 5g / 25g Out of stock 5-7 business days Inquiry
  • Product code: SSC-108165
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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, 5g, 10g, 25g
  • Available purity: >97%
  • Inventory rows with stock: 1
  • Bulk packaging: confirmed by inquiry
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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 22288-79-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 3 In Stock Shanghai Inquiry
5g >97% 0 Out of Stock Shenzhen Inquiry
10g >97% 0 Out of Stock Hong Kong Inquiry
25g >97% 0 Out of Stock Shanghai Inquiry

22288-79-5 / methyl 3-acetamidothiophene-2-carboxylate

Standard CAS: 22288-79-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
22288-79-5
Multi CAS
No
Molecular Formula
C8H9NO3S
Molecular Weight
199.230000
Exact Mass
199.030314
SMILES
CC(=O)NC1=C(SC=C1)C(=O)OC
InChI
InChI=1S/C8H9NO3S/c1-5(10)9-6-3-4-13-7(6)8(11)12-2/h3-4H,1-2H3,(H,9,10)
InChIKey
VVGYLIJOPUUXJN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
49.96
TPSA
55.4

LogP / Solubility

WLOGP
1.49
MLOGP
1.31
XLogP3
1.5
Consensus LogP
1.43
Log S (ESOL)
-2.17
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.27
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.43
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)
-2.88

Drug-likeness / Medicinal Chemistry

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

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