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CAS 1111640-59-5 methyl 3-methylpyrrolidine-3-carboxylate hydrochloride molecular structure lightbox
CAS RN: 1111640-59-5

methyl 3-methylpyrrolidine-3-carboxylate hydrochloride

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250930 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-012033
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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 1111640-59-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1111640-59-5 / methyl 3-methylpyrrolidine-3-carboxylate;hydrochloride

methyl 3-methylpyrrolidine-3-carboxylate hydrochloride | Methyl 3-methylpyrrolidine-3-carboxylate HCl | methyl 3-methylpyrrolidine-3-carboxylate;hydrochloride

Standard CAS: 1111640-59-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1111640-59-5
Multi CAS
Yes
Molecular Formula
C7H14ClNO2
Molecular Weight
179.640000
Exact Mass
179.071306
SMILES
CC1(CCNC1)C(=O)OC.Cl
InChI
InChI=1S/C7H13NO2.ClH/c1-7(6(9)10-2)3-4-8-5-7;/h8H,3-5H2,1-2H3;1H
InChIKey
XBFQRNMGHIGQRP-UHFFFAOYSA-N
Synonyms
methyl 3-methylpyrrolidine-3-carboxylate hydrochloride Methyl 3-methylpyrrolidine-3-carboxylate HCl methyl 3-methylpyrrolidine-3-carboxylate;hydrochloride MFCD12408542 methyl3-methylpyrrolidine-3-carboxylatehydrochloride

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.86
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
44.86
TPSA
38.33

LogP / Solubility

WLOGP
0.58
MLOGP
0.51
XLogP3
0.58
Consensus LogP
0.56
Log S (ESOL)
-1.25
Class (ESOL)
Soluble
Log S (Ali)
-1.45
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.43
Class (SILICOS-IT)
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)
-3.4

Drug-likeness / Medicinal Chemistry

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

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