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CAS 168263-80-7 1,2-Pyrrolidinedicarboxylic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-, 2-methyl 1-(phenylmethyl) ester, (2S,4S)- molecular structure lightbox
CAS RN: 168263-80-7

1,2-Pyrrolidinedicarboxylic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-, 2-methyl 1-(phenylmethyl) ester, (2S,4S)-

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260124 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-073343
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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 168263-80-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Hong Kong Inquiry

168263-80-7 / 1-O-benzyl 2-O-methyl (2S,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-1,2-dicarboxylate

Standard CAS: 168263-80-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
168263-80-7
Multi CAS
No
Molecular Formula
C19H26N2O6
Molecular Weight
378.400000
Exact Mass
378.179087
SMILES
CC(C)(C)OC(=O)N[C@H]1C[C@H](N(C1)C(=O)OCC2=CC=CC=C2)C(=O)OC
InChI
InChI=1S/C19H26N2O6/c1-19(2,3)27-17(23)20-14-10-15(16(22)25-4)21(11-14)18(24)26-12-13-8-6-5-7-9-13/h5-9,14-15H,10-12H2,1-4H3,(H,20,23)/t14-,15-/m0/s1
InChIKey
UVWVPIDBHIWJLK-GJZGRUSLSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
1
Molar refractivity
96.91
TPSA
94.17

LogP / Solubility

WLOGP
2.46
MLOGP
2.19
XLogP3
2.5
Consensus LogP
2.38
Log S (ESOL)
-3.64
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.44
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.64
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.28

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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