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CAS 6404-31-5 N-Carbobenzoxy-D-proline molecular structure lightbox
CAS RN: 6404-31-5

N-Carbobenzoxy-D-proline

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251027 100g In stock Shanghai Inquiry
Batchno.20250120 1kg Out of stock Inquiry
Batchno.20250914 25g In stock Shanghai Inquiry
Batchno.20250531 500g In stock Tianjin, Chengdu Inquiry
  • Product code: SSC-173834
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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: 10g, 25g, 100g
  • Available purity: ≥98%
  • Inventory rows with stock: 2
  • 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 6404-31-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥98% 3 In Stock Hong Kong Inquiry
25g ≥98% 1 In Stock Hong Kong Inquiry
100g ≥98% 0 Out of Stock Shanghai Inquiry

6404-31-5 / (2S)-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid

Standard CAS: 6404-31-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6404-31-5
Multi CAS
Yes
Molecular Formula
C13H15NO4
Molecular Weight
249.260000
Exact Mass
249.100108
InChI
InChI=1S/C13H15NO4/c15-12(16)11-7-4-8-14(11)13(17)18-9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,15,16)/t11-/m0/s1
InChIKey
JXGVXCZADZNAMJ-NSHDSACASA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
63.99
TPSA
66.84

LogP / Solubility

WLOGP
1.87
MLOGP
1.65
XLogP3
1.7
Consensus LogP
1.74
Log S (ESOL)
-2.61
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.96
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.19
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)
-2.91

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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