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CAS 263396-43-6 H-D-Phe(3-CN)-OH molecular structure lightbox
CAS RN: 263396-43-6

H-D-Phe(3-CN)-OH

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250907 1g In stock Shanghai Inquiry
Batchno.20251108 1g / 5g / 10g / 25g Confirm by inquiry Shanghai 5-7 business days Inquiry
Batchno.20250811 250mg In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20251220 25g In stock Shanghai Inquiry
Batchno.20260626 5g In stock Shanghai Inquiry
  • Product code: SSC-123753
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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 263396-43-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry

263396-43-6 / 2,3-dimethyl-7-nitro-1H-indole

Standard CAS: 263396-43-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
263396-43-6
Multi CAS
No
Molecular Formula
C10H10N2O2
Molecular Weight
190.200000
Exact Mass
190.074228
SMILES
CC1=C(NC2=C1C=CC=C2[N+](=O)[O-])C
InChI
InChI=1S/C10H10N2O2/c1-6-7(2)11-10-8(6)4-3-5-9(10)12(13)14/h3-5,11H,1-2H3
InChIKey
ONCCVOJTXZBTDY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
54.43
TPSA
58.93

LogP / Solubility

WLOGP
2.69
MLOGP
2.37
XLogP3
2.6
Consensus LogP
2.55
Log S (ESOL)
-3.13
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.06
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.25
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.97

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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