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CAS 1187224-06-1 Cyclohexaneacetic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-4-methyl-, trans-(αS)- molecular structure lightbox
CAS RN: 1187224-06-1

Cyclohexaneacetic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-4-methyl-, trans-(αS)-

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250815 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-018652
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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, 0.1g, 0.25g, 5g, 10g
  • 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 1187224-06-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 4 In Stock Hong Kong Inquiry
1g -- 3 In Stock Hong Kong Inquiry
0.1g -- 1 In Stock Hong Kong Inquiry
0.25g -- 1 In Stock Beijing Inquiry
0.1g >97% 0 Out of Stock Beijing Inquiry
0.25g >97% 0 Out of Stock Shenzhen Inquiry
5g -- 0 Out of Stock Hong Kong Inquiry
5g >97% 0 Out of Stock Beijing Inquiry
10g -- 0 Out of Stock Shenzhen Inquiry
10g >97% 0 Out of Stock Beijing Inquiry

1187224-06-1 / (2S)-2-(4-methylcyclohexyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid

(S)-2-((tert-butoxycarbonyl)amino)-2-((1r,4S)-4-methylcyclohexyl)acetic acid | MFCD32880294 | (2S)-2-(tert-Butoxycarbonylamino)-2-(4-methylcyclohexyl)acetic acid

Standard CAS: 1187224-06-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1187224-06-1
Multi CAS
No
Molecular Formula
C14H25NO4
Molecular Weight
271.350000
Exact Mass
271.178358
SMILES
CC1CCC(CC1)[C@@H](C(=O)O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C14H25NO4/c1-9-5-7-10(8-6-9)11(12(16)17)15-13(18)19-14(2,3)4/h9-11H,5-8H2,1-4H3,(H,15,18)(H,16,17)/t9?,10?,11-/m0/s1
InChIKey
MUOXYNIOJBUOCL-ILDUYXDCSA-N
Synonyms
(S)-2-((tert-butoxycarbonyl)amino)-2-((1r,4S)-4-methylcyclohexyl)acetic acid MFCD32880294 (2S)-2-(tert-Butoxycarbonylamino)-2-(4-methylcyclohexyl)acetic acid (S)-2-((tert-Butoxycarbonyl)amino)-2-(trans-4-methylcyclohexyl)acetic acid SCHEMBL15009163

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.86
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
71.92
TPSA
75.63

LogP / Solubility

WLOGP
2.79
MLOGP
2.46
XLogP3
3.2
Consensus LogP
2.82
Log S (ESOL)
-3.08
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.8
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.1
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)
-2.39

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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