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CAS 4515-21-3 N-Carbobenzoxy-DL-aspartic Acid molecular structure lightbox
CAS RN: 4515-21-3

N-Carbobenzoxy-DL-aspartic Acid

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250109 5g / 25g / 100g / 500g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: SSC-152969
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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: 100g
  • 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 4515-21-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ＞97% 0 Out of Stock Hong Kong Inquiry

4515-21-3 / 2-(phenylmethoxycarbonylamino)butanedioic acid

Standard CAS: 4515-21-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4515-21-3
Multi CAS
Yes
Molecular Formula
C12H13NO6
Molecular Weight
267.230000
Exact Mass
267.074287
InChI
InChI=1S/C12H13NO6/c14-10(15)6-9(11(16)17)13-12(18)19-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,18)(H,14,15)(H,16,17)
InChIKey
XYXYXSKSTZAEJW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
3
Molar refractivity
63.44
TPSA
112.93

LogP / Solubility

WLOGP
0.84
MLOGP
0.75
XLogP3
0.6
Consensus LogP
0.73
Log S (ESOL)
-1.86
Class (ESOL)
Soluble
Log S (Ali)
-2.36
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.81
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)
-3.75

Drug-likeness / Medicinal Chemistry

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

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