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CAS 1685-33-2 N-Benzyloxycarbonyl-D-valine molecular structure lightbox
CAS RN: 1685-33-2

N-Benzyloxycarbonyl-D-valine

Product Availability

Choose a grade to view its available package options.

5 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251105 100g Out of stock Inquiry
Batchno.20250827 10g Out of stock Inquiry
Batchno.20260611 25g In stock Inquiry
Batchno.20260527 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250329 5g / 25g / 50g / 100g / 500g / 2.5kg Confirm by inquiry Shandong, Shanghai Inquiry
  • Product code: SSC-073420
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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 1685-33-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥97% 0 Out of Stock Hong Kong Inquiry

1685-33-2 / (2R)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid

Standard CAS: 1685-33-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1685-33-2
Multi CAS
No
Molecular Formula
C13H17NO4
Molecular Weight
251.280000
Exact Mass
251.115758
SMILES
CC(C)[C@H](C(=O)O)NC(=O)OCC1=CC=CC=C1
InChI
InChI=1S/C13H17NO4/c1-9(2)11(12(15)16)14-13(17)18-8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,14,17)(H,15,16)/t11-/m1/s1
InChIKey
CANZBRDGRHNSGZ-LLVKDONJSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
66.02
TPSA
75.63

LogP / Solubility

WLOGP
2.02
MLOGP
1.79
XLogP3
1.4
Consensus LogP
1.74
Log S (ESOL)
-2.59
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.08
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.57
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.82

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.

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