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CAS 37466-89-0 3-METHOXY-BENZENE-1,2-DIAMINE molecular structure lightbox
CAS RN: 37466-89-0

3-METHOXY-BENZENE-1,2-DIAMINE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260411 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS37466-89-0
  • Purity/Analytical Methods: >99.0%
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37466-89-0 / 3-methoxybenzene-1,2-diamine

Standard CAS: 37466-89-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
37466-89-0
Multi CAS
Yes
Molecular Formula
C7H10N2O
Molecular Weight
138.170000
Exact Mass
138.079313
InChI
InChI=1S/C7H10N2O/c1-10-6-4-2-3-5(8)7(6)9/h2-4H,8-9H2,1H3
InChIKey
BFLWXPJTAKXXKT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
41.82
TPSA
61.27

LogP / Solubility

WLOGP
0.86
MLOGP
0.75
XLogP3
0.5
Consensus LogP
0.7
Log S (ESOL)
-1.62
Class (ESOL)
Soluble
Log S (Ali)
-1.31
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.39
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.95

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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