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CAS 1212307-91-9 (S)-3-FORMYL-PYRROLIDINE-1-CARBOXYLIC ACID BENZYL ESTER molecular structure lightbox
CAS RN: 1212307-91-9

(S)-3-FORMYL-PYRROLIDINE-1-CARBOXYLIC ACID BENZYL ESTER

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260225 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-023027
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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 1212307-91-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1212307-91-9 / benzyl (3S)-3-formylpyrrolidine-1-carboxylate

(S)-1-N-Cbz-3-formyl-pyrrolidine | (S)-BENZYL 3-FORMYLPYRROLIDINE-1-CARBOXYLATE | benzyl (3S)-3-formylpyrrolidine-1-carboxylate

Standard CAS: 1212307-91-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1212307-91-9
Multi CAS
Yes
Molecular Formula
C13H15NO3
Molecular Weight
233.260000
Exact Mass
233.105193
SMILES
C1CN(C[C@H]1C=O)C(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C13H15NO3/c15-9-12-6-7-14(8-12)13(16)17-10-11-4-2-1-3-5-11/h1-5,9,12H,6-8,10H2/t12-/m0/s1
InChIKey
GDPSCBPOCONUDM-LBPRGKRZSA-N
Synonyms
(S)-1-N-Cbz-3-formyl-pyrrolidine (S)-BENZYL 3-FORMYLPYRROLIDINE-1-CARBOXYLATE benzyl (3S)-3-formylpyrrolidine-1-carboxylate MFCD06796594 (S)-3-Formyl-pyrrolidine-1-carboxylic acid benzyl ester

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
62.37
TPSA
46.61

LogP / Solubility

WLOGP
1.84
MLOGP
1.63
XLogP3
1.2
Consensus LogP
1.56
Log S (ESOL)
-2.51
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.8
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.07
Class (SILICOS-IT)
Poorly 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)
-2.83

Drug-likeness / Medicinal Chemistry

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

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