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CAS 27165-17-9 Fast Scarlet RC Base molecular structure lightbox
CAS RN: 27165-17-9

Fast Scarlet RC Base

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260310 5g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS27165-17-9
  • Purity/Analytical Methods: >99.0%
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27165-17-9 / 2-methoxy-5-nitrobenzenediazonium

Standard CAS: 27165-17-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
27165-17-9
Multi CAS
No
Molecular Formula
C7H6N3O3+
Molecular Weight
180.140000
Exact Mass
180.040916
SMILES
COC1=C(C=C(C=C1)[N+](=O)[O-])[N+]#N
InChI
InChI=1S/C7H6N3O3/c1-13-7-3-2-5(10(11)12)4-6(7)9-8/h2-4H,1H3/q+1
InChIKey
BUADGGPZZZMHBR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
44.39
TPSA
80.52

LogP / Solubility

WLOGP
2.09
MLOGP
1.84
XLogP3
2.8
Consensus LogP
2.24
Log S (ESOL)
-2.48
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.54
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.8
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.34

Drug-likeness / Medicinal Chemistry

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

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