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CAS 1354018-51-1 3-Methyl-thiophene-2-carboxylic acid (S)-pyrrolidin-3-ylamide hydrochloride molecular structure lightbox
CAS RN: 1354018-51-1

3-Methyl-thiophene-2-carboxylic acid (S)-pyrrolidin-3-ylamide hydrochloride

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260102 100mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1354018-51-1
  • Purity/Analytical Methods: >99.0%
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1354018-51-1 / 3-methyl-N-[(3S)-pyrrolidin-3-yl]thiophene-2-carboxamide;hydrochloride

Standard CAS: 1354018-51-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1354018-51-1
Multi CAS
No
Molecular Formula
C10H15ClN2OS
Molecular Weight
246.760000
Exact Mass
246.059362
SMILES
CC1=C(SC=C1)C(=O)N[C@H]2CCNC2.Cl
InChI
InChI=1S/C10H14N2OS.ClH/c1-7-3-5-14-9(7)10(13)12-8-2-4-11-6-8;/h3,5,8,11H,2,4,6H2,1H3,(H,12,13);1H/t8-;/m0./s1
InChIKey
RIQYQDRXQXBQKD-QRPNPIFTSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
65.04
TPSA
41.13

LogP / Solubility

WLOGP
1.57
MLOGP
1.39
XLogP3
1.57
Consensus LogP
1.51
Log S (ESOL)
-2.47
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.72
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.81
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)
-3.11

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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