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CAS 17191-43-4 1-{[(benzyloxy)carbonyl]amino}cyclohexanecarboxylic acid molecular structure lightbox
CAS RN: 17191-43-4

1-{[(benzyloxy)carbonyl]amino}cyclohexanecarboxylic acid

Product Availability

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2 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250110 1g In stock Shanghai, Shandong Inquiry
Batchno.20260226 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-075645
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: >97%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 17191-43-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 5 In Stock Hong Kong Inquiry
0.25g >97% 5 In Stock Shenzhen Inquiry
1g >97% 5 In Stock Beijing Inquiry
5g >97% 2 In Stock Hong Kong Inquiry

17191-43-4 / 1-(phenylmethoxycarbonylamino)cyclohexane-1-carboxylic acid

Standard CAS: 17191-43-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
17191-43-4
Multi CAS
No
Molecular Formula
C15H19NO4
Molecular Weight
277.310000
Exact Mass
277.131408
SMILES
C1CCC(CC1)(C(=O)O)NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C15H19NO4/c17-13(18)15(9-5-2-6-10-15)16-14(19)20-11-12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2,(H,16,19)(H,17,18)
InChIKey
UZRXLKFQBCCVJH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.47
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
73.21
TPSA
75.63

LogP / Solubility

WLOGP
2.7
MLOGP
2.39
XLogP3
2.6
Consensus LogP
2.56
Log S (ESOL)
-3.22
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.78
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.18
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)
-2.49

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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