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CAS 1266228-88-9 Cyclohexaneacetic acid, 4,4-difluoro-α-[[(phenylmethoxy)carbonyl]amino]-, (αS)- molecular structure lightbox
CAS RN: 1266228-88-9

Cyclohexaneacetic acid, 4,4-difluoro-α-[[(phenylmethoxy)carbonyl]amino]-, (αS)-

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251209 100mg / 250mg / 500mg Out of stock 1 business days Inquiry
  • Product code: SSC-033673
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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: 1g, 5g, 0.25g, 10g, 0.1g, 25g
  • Available purity: >97%
  • Inventory rows with stock: 6
  • 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 1266228-88-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 5 In Stock Shanghai Inquiry
5g >97% 5 In Stock Shenzhen Inquiry
0.25g >97% 3 In Stock Hong Kong Inquiry
10g >97% 3 In Stock Hong Kong Inquiry
0.1g >97% 2 In Stock Shanghai Inquiry
25g >97% 1 In Stock Shanghai Inquiry

1266228-88-9 / (2S)-2-(4,4-difluorocyclohexyl)-2-(phenylmethoxycarbonylamino)acetic acid

Standard CAS: 1266228-88-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1266228-88-9
Multi CAS
No
Molecular Formula
C16H19F2NO4
Molecular Weight
327.320000
Exact Mass
327.128214
SMILES
C1CC(CCC1[C@@H](C(=O)O)NC(=O)OCC2=CC=CC=C2)(F)F
InChI
InChI=1S/C16H19F2NO4/c17-16(18)8-6-12(7-9-16)13(14(20)21)19-15(22)23-10-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2,(H,19,22)(H,20,21)/t13-/m0/s1
InChIKey
IPGGMXDGUYIFGO-ZDUSSCGKSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
78.09
TPSA
75.63

LogP / Solubility

WLOGP
3.19
MLOGP
2.82
XLogP3
3.2
Consensus LogP
3.07
Log S (ESOL)
-3.74
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.55
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.04
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.45

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

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