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CAS 18605-26-0 tert-Butyl 3-(((benzyloxy)carbonyl)amino)propanoate molecular structure lightbox
CAS RN: 18605-26-0

tert-Butyl 3-(((benzyloxy)carbonyl)amino)propanoate

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260523 1g In stock Shanghai Inquiry
  • Product code: SSC-086207
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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: 5g
  • 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 18605-26-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >95% 0 Out of Stock Beijing Inquiry

18605-26-0 / tert-butyl 3-(phenylmethoxycarbonylamino)propanoate

Standard CAS: 18605-26-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
18605-26-0
Multi CAS
No
Molecular Formula
C15H21NO4
Molecular Weight
279.330000
Exact Mass
279.147058
SMILES
CC(C)(C)OC(=O)CCNC(=O)OCC1=CC=CC=C1
InChI
InChI=1S/C15H21NO4/c1-15(2,3)20-13(17)9-10-16-14(18)19-11-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3,(H,16,18)
InChIKey
RLEOEDXSMUQCMZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.47
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
1
Molar refractivity
75.09
TPSA
64.63

LogP / Solubility

WLOGP
2.64
MLOGP
2.34
XLogP3
2.2
Consensus LogP
2.39
Log S (ESOL)
-3.13
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.76
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.27
Class (SILICOS-IT)
Slightly 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)
-2.55

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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