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CAS 1032903-62-0 4-(5-isopropoxy-2-Methyl-4-nitrophenyl)pyridine molecular structure lightbox
CAS RN: 1032903-62-0

4-(5-isopropoxy-2-Methyl-4-nitrophenyl)pyridine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251105 1g / 5g / 25g Out of stock 5-7 business days Inquiry
  • Product code: SSC-004742
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1032903-62-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shenzhen Inquiry

1032903-62-0 / 4-(2-methyl-4-nitro-5-propan-2-yloxyphenyl)pyridine

1-Boc-5-Cyano-3-hydroxymethylindole | tert-butyl 5-cyano-3-(hydroxymethyl)-1H-indole-1-carboxylate | tert-butyl 5-cyano-3-(hydroxymethyl)indole-1-carboxylate

Standard CAS: 1032903-62-0 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1032903-62-0
Multi CAS
Yes
Molecular Formula
C15H16N2O3
Molecular Weight
272.300000
Exact Mass
272.116092
SMILES
CC1=CC(=C(C=C1C2=CC=NC=C2)OC(C)C)[N+](=O)[O-]
InChI
InChI=1S/C15H16N2O3/c1-10(2)20-15-9-13(12-4-6-16-7-5-12)11(3)8-14(15)17(18)19/h4-10H,1-3H3
InChIKey
FGDOUMVPHJHSCK-UHFFFAOYSA-N
Synonyms
1-Boc-5-Cyano-3-hydroxymethylindole tert-butyl 5-cyano-3-(hydroxymethyl)-1H-indole-1-carboxylate tert-butyl 5-cyano-3-(hydroxymethyl)indole-1-carboxylate MFCD05864719 5-CYANO-3-HYDROXYMETHYLINDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.27
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
76.83
TPSA
65.26

LogP / Solubility

WLOGP
3.75
MLOGP
3.31
XLogP3
3.4
Consensus LogP
3.49
Log S (ESOL)
-4.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.5
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.02
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.72

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
1.5

Safety & Transport

Pictogram(s)
Irritant Environmental Hazard
Signal
Warning
GHS Hazard Statements
H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral] H411 (66.7%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P264, P270, P273, P301+P317, P330, P391, and P501

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