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CAS 39978-14-8 METHYL 3-AMINOTHIOPHENE-4-CARBOXYLATE HYDROCHLORIDE molecular structure lightbox
CAS RN: 39978-14-8

METHYL 3-AMINOTHIOPHENE-4-CARBOXYLATE HYDROCHLORIDE

  • Product code: SSC-147815
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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, 0.25g, 5g, 10g, 25g, 100g
  • Available purity: ≥97%
  • Inventory rows with stock: 2
  • 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 39978-14-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 5 In Stock Beijing Inquiry
0.25g ≥97% 2 In Stock Shenzhen Inquiry
5g ≥97% 0 Out of Stock Shanghai Inquiry
10g ≥97% 0 Out of Stock Shenzhen Inquiry
25g ≥97% 0 Out of Stock Shenzhen Inquiry
100g ≥97% 0 Out of Stock Beijing Inquiry

39978-14-8 / methyl 4-aminothiophene-3-carboxylate;hydrochloride

Standard CAS: 39978-14-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
39978-14-8
Multi CAS
Yes
Molecular Formula
C6H8CLNO2S
Molecular Weight
193.650000
Exact Mass
192.996427
InChI
InChI=1S/C6H7NO2S.ClH/c1-9-6(8)4-2-10-3-5(4)7;/h2-3H,7H2,1H3;1H
InChIKey
JGIRDDQLZLXRKQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
47.32
TPSA
52.32

LogP / Solubility

WLOGP
1.54
MLOGP
1.35
XLogP3
1.54
Consensus LogP
1.48
Log S (ESOL)
-2.28
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.26
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.32
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)
-2.81

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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