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CAS 96034-57-0 TRANS-4-HYDROXY-1-(4-NITROBENZYLOXYCARBONYL)-L-PROLINE molecular structure lightbox
CAS RN: 96034-57-0

TRANS-4-HYDROXY-1-(4-NITROBENZYLOXYCARBONYL)-L-PROLINE

Product Availability

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4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260109 5g / 25g / 100g Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251013 100g In stock Wuhan Inquiry
Batchno.20250127 25g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250105 5g In stock Shanghai, Tianjin, Chengdu Inquiry
  • Product code: SSC-211860
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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: 25g
  • Available purity: ＞97%
  • 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 96034-57-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Shanghai Inquiry

96034-57-0 / (2S,4R)-4-hydroxy-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidine-2-carboxylic acid

Standard CAS: 96034-57-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
96034-57-0
Multi CAS
Yes
Molecular Formula
C13H14N2O7
Molecular Weight
310.260000
Exact Mass
310.080101
InChI
InChI=1S/C13H14N2O7/c16-10-5-11(12(17)18)14(6-10)13(19)22-7-8-1-3-9(4-2-8)15(20)21/h1-4,10-11,16H,5-7H2,(H,17,18)/t10-,11+/m1/s1
InChIKey
JMJMJDNHVXYAOC-MNOVXSKESA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
2
Molar refractivity
72.04
TPSA
130.21

LogP / Solubility

WLOGP
0.75
MLOGP
0.67
XLogP3
0.6
Consensus LogP
0.67
Log S (ESOL)
-2.17
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.65
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.78
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.08

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3.5

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