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CAS 4136-37-2 Stachydrine Hydrochloride molecular structure lightbox
CAS RN: 4136-37-2

Stachydrine Hydrochloride

Product Availability

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250529 100g In stock Shanghai Inquiry
Batchno.20251219 1g In stock Shanghai Inquiry
Batchno.20260529 250mg In stock Shanghai, Chengdu Inquiry
Batchno.20250201 25g Out of stock Inquiry
Batchno.20260307 5g In stock Shanghai Inquiry
  • Product code: ICTS0358
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4136-37-2 / 1,1-dimethylpyrrolidin-1-ium-2-carboxylic acid chloride

Standard CAS: 4136-37-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4136-37-2
Multi CAS
Yes
Molecular Formula
C7H14CLNO2
Molecular Weight
179.640000
Exact Mass
179.071306
InChI
InChI=1S/C7H13NO2.ClH/c1-8(2)5-3-4-6(8)7(9)10;/h6H,3-5H2,1-2H3;1H
InChIKey
DUNMULOWUUIQIL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.86
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
37.63
TPSA
37.3

LogP / Solubility

WLOGP
-2.69
MLOGP
-2.37
XLogP3
-2.69
Consensus LogP
-2.58
Log S (ESOL)
0.8
Class (ESOL)
Highly soluble
Log S (Ali)
0.91
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.28
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
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)
-5.72

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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