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CAS 847416-70-0 cis-(1,1-DiMethylethoxy)carbonyl TranexaMic Acid molecular structure lightbox
CAS RN: 847416-70-0

cis-(1,1-DiMethylethoxy)carbonyl TranexaMic Acid

  • Product code: SSC-192299
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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, 10g
  • Available purity: >97%
  • Inventory rows with stock: 5
  • 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 847416-70-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 1 In Stock Beijing Inquiry
0.25g >97% 1 In Stock Hong Kong Inquiry
1g >97% 1 In Stock Beijing Inquiry
5g >97% 1 In Stock Hong Kong Inquiry
10g >97% 1 In Stock Shenzhen Inquiry

847416-70-0 / 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexane-1-carboxylic acid

Standard CAS: 847416-70-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
847416-70-0
Multi CAS
Yes
Molecular Formula
C13H23NO4
Molecular Weight
257.330000
Exact Mass
257.162708
InChI
InChI=1S/C13H23NO4/c1-13(2,3)18-12(17)14-8-9-4-6-10(7-5-9)11(15)16/h9-10H,4-8H2,1-3H3,(H,14,17)(H,15,16)
InChIKey
AZEKNJGFCSHZID-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.85
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
67.32
TPSA
75.63

LogP / Solubility

WLOGP
2.4
MLOGP
2.12
XLogP3
1.9
Consensus LogP
2.14
Log S (ESOL)
-2.75
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.4
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.69
Class (SILICOS-IT)
Poorly 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)
-2.58

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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