CAS 1448189-90-9 (2S,4R)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide hydrochloride molecular structure

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CAS RN: 1448189-90-9

(2S,4R)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide hydrochloride

Product code: SSC-056131

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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: 1g
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 1448189-90-9
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
1g	≥95%	0 Out of Stock	Shenzhen	Inquiry

1448189-90-9 / (2S,4R)-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride

Standard CAS: 1448189-90-9 Multi CAS: No

Basic Information Computed Properties

Basic Information

CAS

1448189-90-9

Multi CAS

Molecular Formula

C16H20ClN3O2S

Molecular Weight

353.900000

Exact Mass

353.096476

SMILES

CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)[C@@H]3C[C@H](CN3)O.Cl

InChI

InChI=1S/C16H19N3O2S.ClH/c1-10-15(22-9-19-10)12-4-2-11(3-5-12)7-18-16(21)14-6-13(20)8-17-14;/h2-5,9,13-14,17,20H,6-8H2,1H3,(H,18,21);1H/t13-,14+;/m1./s1

InChIKey

QNLCWFKBLGSPME-DFQHDRSWSA-N

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.38

Rotatable bonds

H-bond acceptors

H-bond donors

Molar refractivity

93.8

TPSA

74.25

LogP / Solubility

WLOGP

1.88

MLOGP

1.67

XLogP3

1.88

Consensus LogP

1.81

Log S (ESOL)

-3.31

Class (ESOL)

Poorly soluble

Log S (Ali)

-3.82

Class (Ali)

Poorly soluble

Log S (SILICOS-IT)

-4

Class (SILICOS-IT)

Slightly soluble

ADME

GI absorption

High

BBB permeant

Yes

P-gp substrate

CYP1A2 inhibitor

Yes

CYP2C19 inhibitor

CYP2C9 inhibitor

CYP2D6 inhibitor

Yes

CYP3A4 inhibitor

Log Kp (skin permeation)

-3.54

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Yes

Veber

Yes

Egan

Yes

Muegge

Yes

Bioavailability score

0.55

Leadlikeness

Synthetic Accessibility

3.5

(2S,4R)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide hydrochloride

Historical Supply Reference

Reference Pack Sizes

1448189-90-9 / (2S,4R)-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride

Basic Information

Computed Properties

Structural Parameters

LogP / Solubility

ADME

Drug-likeness / Medicinal Chemistry

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