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CAS 834-28-6 Phenformin hydrochloride molecular structure lightbox
CAS RN: 834-28-6

Phenformin hydrochloride

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  • Product code: starshine_CAS834-28-6
  • Purity/Analytical Methods: >99.0%
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834-28-6 / 1-(diaminomethylidene)-2-(2-phenylethyl)guanidine;hydrochloride

Standard CAS: 834-28-6 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
834-28-6
Multi CAS
Yes
Molecular Formula
C10H16CLN5
Molecular Weight
241.720000
Exact Mass
241.109423
InChI
InChI=1S/C10H15N5.ClH/c11-9(12)15-10(13)14-7-6-8-4-2-1-3-5-8;/h1-5H,6-7H2,(H6,11,12,13,14,15);1H
InChIKey
YSUCWSWKRIOILX-UHFFFAOYSA-N

Physical Properties

Melting Point
347 to 352 °F (NTP, 1992)
Physical Description
Phenformin hydrochloride appears as white solid or powder. Formerly used as an anti-diabetic drug. Toxic (causes lactic acidosis.
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
3
Molar refractivity
69.69
TPSA
102.78

LogP / Solubility

WLOGP
0.24
MLOGP
0.22
XLogP3
0.24
Consensus LogP
0.23
Log S (ESOL)
-1.57
Class (ESOL)
Soluble
Log S (Ali)
-1.71
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.79
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.02

Drug-likeness / Medicinal Chemistry

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

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