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CAS 133081-26-2 SUCCINIMIDYL 6-BOC-HYDRAZINONICOTINATE molecular structure lightbox
CAS RN: 133081-26-2

SUCCINIMIDYL 6-BOC-HYDRAZINONICOTINATE

  • Product code: SSC-039780
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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: 0.25g, 0.1g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 2
  • 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 133081-26-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 2 In Stock Hong Kong Inquiry
0.1g ≥95% 1 In Stock Hong Kong Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

133081-26-2 / (2,5-dioxopyrrolidin-1-yl) 6-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]pyridine-3-carboxylate

Standard CAS: 133081-26-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
133081-26-2
Multi CAS
No
Molecular Formula
C15H18N4O6
Molecular Weight
350.330000
Exact Mass
350.122634
SMILES
CC(C)(C)OC(=O)NNC1=NC=C(C=C1)C(=O)ON2C(=O)CCC2=O
InChI
InChI=1S/C15H18N4O6/c1-15(2,3)24-14(23)18-17-10-5-4-9(8-16-10)13(22)25-19-11(20)6-7-12(19)21/h4-5,8H,6-7H2,1-3H3,(H,16,17)(H,18,23)
InChIKey
PHWZJVJAIAVOAP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
4
H-bond acceptors
8
H-bond donors
2
Molar refractivity
83.73
TPSA
126.93

LogP / Solubility

WLOGP
1.15
MLOGP
1.03
XLogP3
1
Consensus LogP
1.06
Log S (ESOL)
-2.65
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.27
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.37
Class (SILICOS-IT)
Poorly 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)
-4.04

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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