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CAS 113304-84-0 (R)-Methyl 1-benzylpyrrolidine-2-carboxylate molecular structure lightbox
CAS RN: 113304-84-0

(R)-Methyl 1-benzylpyrrolidine-2-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250619 50mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-013461
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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: 0.1g, 0.25g, 1g
  • Available purity: >95%
  • Inventory rows with stock: 3
  • 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 113304-84-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Hong Kong Inquiry
0.25g >95% 1 In Stock Hong Kong Inquiry
1g >95% 1 In Stock Hong Kong Inquiry

113304-84-0 / methyl (2R)-1-benzylpyrrolidine-2-carboxylate

methyl 1-benzylpyrrolidine-2-carboxylate | DTXSID40340255 | RefChem:353324

Standard CAS: 113304-84-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
113304-84-0
Multi CAS
Yes
Molecular Formula
C13H17NO2
Molecular Weight
219.280000
Exact Mass
219.125929
SMILES
COC(=O)[C@H]1CCCN1CC2=CC=CC=C2
InChI
InChI=1S/C13H17NO2/c1-16-13(15)12-8-5-9-14(12)10-11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3/t12-/m1/s1
InChIKey
NGJACAHAGMHHQT-GFCCVEGCSA-N
Synonyms
methyl 1-benzylpyrrolidine-2-carboxylate DTXSID40340255 RefChem:353324 DTXCID60291336 methyl 1-(phenylmethyl)pyrrolidine-2-carboxylate

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
61.89
TPSA
29.54

LogP / Solubility

WLOGP
1.82
MLOGP
1.61
XLogP3
2.2
Consensus LogP
1.88
Log S (ESOL)
-2.43
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.68
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.96
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)
-2.76

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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