CAS RN: 55368-40-6
Furamidine dihydrochloride
Product Availability
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2 package records1 with current stock1 grade group
- Product code: starshine_CAS55368-40-6
- Purity/Analytical Methods: >99.0%
55368-40-6 / 4-[5-(4-carbamimidoylphenyl)furan-2-yl]benzenecarboximidamide
Basic Information
CAS
55368-40-6
Multi CAS
Yes
Molecular Formula
C18H16N4O
Molecular Weight
304.300000
Exact Mass
304.132411
InChI
InChI=1S/C18H16N4O.2ClH/c19-17(20)13-5-1-11(2-6-13)15-9-10-16(23-15)12-3-7-14(8-4-12)18(21)22;;/h1-10H,(H3,19,20)(H3,21,22);2*1H
InChIKey
VXNYQUQHOUERTR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
17
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
4
Molar refractivity
91.61
TPSA
112.88
LogP / Solubility
WLOGP
3.18
MLOGP
2.81
XLogP3
2.2
Consensus LogP
2.73
Log S (ESOL)
-4.01
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.35
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.76
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.32
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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