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CAS 199005-69-1 (S)-N-alpha-Z-Nbeta-Boc-2,3-diaminopropan-1-ol molecular structure lightbox
CAS RN: 199005-69-1

(S)-N-alpha-Z-Nbeta-Boc-2,3-diaminopropan-1-ol

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250313 1g / 5g / 10g Confirm by inquiry Shanghai 3-5 business days Inquiry
  • Product code: SSC-093746
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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 199005-69-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

199005-69-1 / benzyl N-[(2S)-1-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]carbamate

Standard CAS: 199005-69-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
199005-69-1
Multi CAS
No
Molecular Formula
C16H24N2O5
Molecular Weight
324.370000
Exact Mass
324.168522
SMILES
CC(C)(C)OC(=O)NC[C@@H](CO)NC(=O)OCC1=CC=CC=C1
InChI
InChI=1S/C16H24N2O5/c1-16(2,3)23-14(20)17-9-13(10-19)18-15(21)22-11-12-7-5-4-6-8-12/h4-8,13,19H,9-11H2,1-3H3,(H,17,20)(H,18,21)/t13-/m0/s1
InChIKey
ZRYGVUNFLKWGQH-ZDUSSCGKSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
3
Molar refractivity
84.87
TPSA
96.89

LogP / Solubility

WLOGP
1.8
MLOGP
1.6
XLogP3
1.5
Consensus LogP
1.63
Log S (ESOL)
-2.78
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.52
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.98
Class (SILICOS-IT)
Poorly 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)
-3.42

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

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