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CAS 10448-84-7 Nitromifene molecular structure lightbox
CAS RN: 10448-84-7

Nitromifene

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251125 1mg / 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS10448-84-7
  • Purity/Analytical Methods: >99.0%
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10448-84-7 / 1-[2-[4-[1-(4-methoxyphenyl)-2-nitro-2-phenylethenyl]phenoxy]ethyl]pyrrolidine

NITROMIFENE | Nitromifeno | 5FS1NJ6Q8N

Standard CAS: 10448-84-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
10448-84-7
Multi CAS
Yes
Molecular Formula
C27H28N2O4
Molecular Weight
444.500000
Exact Mass
444.204907
SMILES
COC1=CC=C(C=C1)C(=C(C2=CC=CC=C2)[N+](=O)[O-])C3=CC=C(C=C3)OCCN4CCCC4
InChI
InChI=1S/C27H28N2O4/c1-32-24-13-9-21(10-14-24)26(27(29(30)31)23-7-3-2-4-8-23)22-11-15-25(16-12-22)33-20-19-28-17-5-6-18-28/h2-4,7-16H,5-6,17-20H2,1H3/b27-26-
InChIKey
MFKMXUFMHOCZHP-RQZHXJHFSA-N
Synonyms
NITROMIFENE Nitromifeno 5FS1NJ6Q8N Nitromifenum CI628

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
18
Fraction Csp3
0.26
Rotatable bonds
9
H-bond acceptors
5
Molar refractivity
129.96
TPSA
64.84

LogP / Solubility

WLOGP
5.36
MLOGP
4.75
XLogP3
6.2
Consensus LogP
5.44
Log S (ESOL)
-5.78
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.08
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.08
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.62

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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