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CAS 1256336-73-8 4-(1-((tert-Butoxycarbonyl)amino)cyclopropyl)benzoic acid molecular structure lightbox
CAS RN: 1256336-73-8

4-(1-((tert-Butoxycarbonyl)amino)cyclopropyl)benzoic acid

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251218 100mg In stock Shanghai Inquiry
Batchno.20260328 1g In stock Shanghai Inquiry
Batchno.20260223 250mg In stock Shanghai Inquiry
  • Product code: SSC-030408
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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 1256336-73-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1256336-73-8 / 4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]benzoic acid

Standard CAS: 1256336-73-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1256336-73-8
Multi CAS
No
Molecular Formula
C15H19NO4
Molecular Weight
277.310000
Exact Mass
277.131408
SMILES
CC(C)(C)OC(=O)NC1(CC1)C2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C15H19NO4/c1-14(2,3)20-13(19)16-15(8-9-15)11-6-4-10(5-7-11)12(17)18/h4-7H,8-9H2,1-3H3,(H,16,19)(H,17,18)
InChIKey
AITYSYLDYGPVBZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.47
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
73.68
TPSA
75.63

LogP / Solubility

WLOGP
2.9
MLOGP
2.56
XLogP3
2.3
Consensus LogP
2.59
Log S (ESOL)
-3.41
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.93
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.23
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)
-2.35

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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