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CAS 393524-17-9 1,2-Pyrrolidinedicarboxylic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-, 1-(phenylmethyl) ester, (2S,4R)- molecular structure lightbox
CAS RN: 393524-17-9

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

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260603 100mg / 250mg / 500mg Out of stock 1 business days Inquiry
  • Product code: SSC-147017
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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 393524-17-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

393524-17-9 / 4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid

Standard CAS: 393524-17-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
393524-17-9
Multi CAS
Yes
Molecular Formula
C18H24N2O6
Molecular Weight
364.400000
Exact Mass
364.163436
InChI
InChI=1S/C18H24N2O6/c1-18(2,3)26-16(23)19-13-9-14(15(21)22)20(10-13)17(24)25-11-12-7-5-4-6-8-12/h4-8,13-14H,9-11H2,1-3H3,(H,19,23)(H,21,22)
InChIKey
DDWOAECQYPSHMZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
2
Molar refractivity
92.53
TPSA
105.17

LogP / Solubility

WLOGP
2.38
MLOGP
2.11
XLogP3
2.2
Consensus LogP
2.23
Log S (ESOL)
-3.5
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.26
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.48
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)
-3.26

Drug-likeness / Medicinal Chemistry

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

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