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CAS 108919-51-3 Z-DBU(BOC)-OH molecular structure lightbox
CAS RN: 108919-51-3

Z-DBU(BOC)-OH

Product Availability

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4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250728 100mg In stock Inquiry
Batchno.20260524 500mg Out of stock Inquiry
Batchno.20250502 50mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250312 50mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-010106
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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: ＞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 108919-51-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

108919-51-3 / (3R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(phenylmethoxycarbonylamino)butanoic acid

3-(BENZYLOXYCARBONYLAMINO)-4-(TERT-BUTOXYCARBONYLAMINO)BUTANOIC ACID | (S)-4-(Boc-amino)-3-(Z-amino)butyric acid | SCHEMBL10936907

Standard CAS: 108919-51-3 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
108919-51-3
Multi CAS
Yes
Molecular Formula
C17H24N2O6
Molecular Weight
352.400000
Exact Mass
352.163436
SMILES
CC(C)(C)OC(=O)NC[C@@H](CC(=O)O)NC(=O)OCC1=CC=CC=C1
InChI
InChI=1S/C17H24N2O6/c1-17(2,3)25-15(22)18-10-13(9-14(20)21)19-16(23)24-11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,18,22)(H,19,23)(H,20,21)/t13-/m1/s1
InChIKey
KUMMZCONPFBQTC-CYBMUJFWSA-N
Synonyms
3-(BENZYLOXYCARBONYLAMINO)-4-(TERT-BUTOXYCARBONYLAMINO)BUTANOIC ACID (S)-4-(Boc-amino)-3-(Z-amino)butyric acid SCHEMBL10936907 EN300-1287986 3-(BENZYLOXYCARBONYLAMINO)-4-(TERT-BUTOXYCARBONYLAMINO)BUTANOICACID

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
6
Fraction Csp3
0.47
Rotatable bonds
7
H-bond acceptors
5
H-bond donors
3
Molar refractivity
90.04
TPSA
113.96

LogP / Solubility

WLOGP
2.28
MLOGP
2.03
XLogP3
1.7
Consensus LogP
2
Log S (ESOL)
-3.18
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.1
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.68
Class (SILICOS-IT)
Slightly 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)
-3.25

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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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