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CAS 37557-40-7 N-O-TOLYL-GUANIDINE molecular structure lightbox
CAS RN: 37557-40-7

N-O-TOLYL-GUANIDINE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251108 50mg / 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS37557-40-7
  • Purity/Analytical Methods: >99.0%
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37557-40-7 / 2-(2-methylphenyl)guanidine

Standard CAS: 37557-40-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
37557-40-7
Multi CAS
Yes
Molecular Formula
C8H11N3
Molecular Weight
149.190000
Exact Mass
149.095297
InChI
InChI=1S/C8H11N3/c1-6-4-2-3-5-7(6)11-8(9)10/h2-5H,1H3,(H4,9,10,11)
InChIKey
VVFVRTNNLLZXAL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
2
Molar refractivity
46.65
TPSA
64.4

LogP / Solubility

WLOGP
0.9
MLOGP
0.79
XLogP3
0.8
Consensus LogP
0.83
Log S (ESOL)
-1.67
Class (ESOL)
Soluble
Log S (Ali)
-1.43
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.5
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)
-2.99

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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