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CAS 106820-63-7 Methyl 3-[(methoxycarbonylmethyl)sulfamoyl]thiophene-2-carboxylate molecular structure lightbox
CAS RN: 106820-63-7

Methyl 3-[(methoxycarbonylmethyl)sulfamoyl]thiophene-2-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260311 5g / 25g Out of stock 8-10 business days Inquiry
  • Product code: SSC-008328
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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: 100g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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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 106820-63-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥95% 0 Out of Stock Shanghai Inquiry

106820-63-7 / methyl 3-[(2-methoxy-2-oxoethyl)sulfamoyl]thiophene-2-carboxylate

EC 600-780-8 | 2-Thiophenecarboxylic Acid, 3-[[(2-Methoxy-2-Oxoethyl)Amino]Sulfonyl]-, Methyl Ester | 2-Thiophenecarboxylic acid, 3-(((2-methoxy-2-oxoethyl)amino)sulfonyl)-, methyl ester

Standard CAS: 106820-63-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
106820-63-7
Multi CAS
No
Molecular Formula
C9H11NO6S2
Molecular Weight
293.300000
Exact Mass
293.002779
SMILES
COC(=O)CNS(=O)(=O)C1=C(SC=C1)C(=O)OC
InChI
InChI=1S/C9H11NO6S2/c1-15-7(11)5-10-18(13,14)6-3-4-17-8(6)9(12)16-2/h3-4,10H,5H2,1-2H3
InChIKey
KUTKKTKUSGIBPZ-UHFFFAOYSA-N
Synonyms
EC 600-780-8 2-Thiophenecarboxylic Acid, 3-[[(2-Methoxy-2-Oxoethyl)Amino]Sulfonyl]-, Methyl Ester 2-Thiophenecarboxylic acid, 3-(((2-methoxy-2-oxoethyl)amino)sulfonyl)-, methyl ester RefChem:483776 600-780-8

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
5
Fraction Csp3
0.33
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
1
Molar refractivity
62.86
TPSA
98.77

LogP / Solubility

WLOGP
-0.01
XLogP3
0.7
Consensus LogP
0.23
Log S (ESOL)
-1.53
Class (ESOL)
Soluble
Log S (Ali)
-1.96
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.15
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.52

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal] H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501

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