[email protected]
CAS 80663-95-2 CAINDEXNAME:GUANIDINE,[(3-IODOPHENYL)METHYL] molecular structure lightbox
CAS RN: 80663-95-2

CAINDEXNAME:GUANIDINE,[(3-IODOPHENYL)METHYL]

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260501 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS80663-95-2
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

80663-95-2 / 2-[(3-iodophenyl)methyl]guanidine

Standard CAS: 80663-95-2 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
80663-95-2
Multi CAS
Yes
Molecular Formula
C8H10In3
Molecular Weight
275.090000
Exact Mass
274.991940
InChI
InChI=1S/C8H10IN3/c9-7-3-1-2-6(4-7)5-12-8(10)11/h1-4H,5H2,(H4,10,11,12)
InChIKey
PDWUPXJEEYOOTR-UHFFFAOYSA-N

Physical Properties

Melting Point
0°C
Boiling Point
100°C

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
2
Molar refractivity
58.67
TPSA
64.4

LogP / Solubility

WLOGP
1.06
MLOGP
0.95
XLogP3
1
Consensus LogP
1
Log S (ESOL)
-2.45
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.58
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.57
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.64

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us