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CAS 146232-51-1 1,2,3-Pyridazinetricarboxylic acid, tetrahydro-, 1,2-bis(1,1-dimethylethyl) ester, (3R)- molecular structure lightbox
CAS RN: 146232-51-1

1,2,3-Pyridazinetricarboxylic acid, tetrahydro-, 1,2-bis(1,1-dimethylethyl) ester, (3R)-

  • Product code: SSC-057340
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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: >95%
  • Inventory rows with stock: 3
  • 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 146232-51-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Hong Kong Inquiry
0.25g >95% 1 In Stock Shenzhen Inquiry
1g >95% 1 In Stock Hong Kong Inquiry
5g >95% 0 Out of Stock Beijing Inquiry

146232-51-1 / (3R)-1,2-bis[(2-methylpropan-2-yl)oxycarbonyl]diazinane-3-carboxylic acid

Standard CAS: 146232-51-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
146232-51-1
Multi CAS
No
Molecular Formula
C15H26N2O6
Molecular Weight
330.380000
Exact Mass
330.179087
SMILES
CC(C)(C)OC(=O)N1CCC[C@@H](N1C(=O)OC(C)(C)C)C(=O)O
InChI
InChI=1S/C15H26N2O6/c1-14(2,3)22-12(20)16-9-7-8-10(11(18)19)17(16)13(21)23-15(4,5)6/h10H,7-9H2,1-6H3,(H,18,19)/t10-/m1/s1
InChIKey
MLXHSDCSBUGOLZ-SNVBAGLBSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
81.67
TPSA
96.38

LogP / Solubility

WLOGP
2.62
MLOGP
2.32
XLogP3
2.3
Consensus LogP
2.41
Log S (ESOL)
-3.47
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.16
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.1
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.87

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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