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CAS 1134776-30-9 4-[(1R)-1-[[(tert-Butoxy)carbonyl]amino]ethyl]benzoic acid molecular structure lightbox
CAS RN: 1134776-30-9

4-[(1R)-1-[[(tert-Butoxy)carbonyl]amino]ethyl]benzoic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250111 100mg / 250mg Out of stock 15 business days Inquiry
  • Product code: SSC-013591
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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 1134776-30-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1134776-30-9 / 4-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]benzoic acid

4-(1-{[(tert-butoxy)carbonyl]amino}ethyl)benzoic acid | 4-(1-(((tert-butoxy)carbonyl)amino)ethyl)benzoic acid | RefChem:510217

Standard CAS: 1134776-30-9 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1134776-30-9
Multi CAS
Yes
Molecular Formula
C14H19NO4
Molecular Weight
265.300000
Exact Mass
265.131408
SMILES
C[C@H](C1=CC=C(C=C1)C(=O)O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C14H19NO4/c1-9(15-13(18)19-14(2,3)4)10-5-7-11(8-6-10)12(16)17/h5-9H,1-4H3,(H,15,18)(H,16,17)/t9-/m1/s1
InChIKey
OKRPFRUXMOYTDV-SECBINFHSA-N
Synonyms
4-(1-{[(tert-butoxy)carbonyl]amino}ethyl)benzoic acid 4-(1-(((tert-butoxy)carbonyl)amino)ethyl)benzoic acid RefChem:510217 809-532-5 4-(1-((tert-Butoxycarbonyl)amino)ethyl)benzoic acid

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
71.19
TPSA
75.63

LogP / Solubility

WLOGP
2.97
MLOGP
2.62
XLogP3
2.4
Consensus LogP
2.66
Log S (ESOL)
-3.39
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.88
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.21
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)
-2.23

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

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Precautionary Statement Codes
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501

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