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CAS 73-05-2 Phentolamine hydrochloride molecular structure lightbox
CAS RN: 73-05-2

Phentolamine hydrochloride

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250414 100mg In stock Shanghai, Tianjin Inquiry
Batchno.20250623 1g In stock Shanghai Inquiry
Batchno.20260506 250mg In stock Shanghai, Shenzhen, Wuhan Inquiry
Batchno.20250101 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS73-05-2
  • Purity/Analytical Methods: >99.0%
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73-05-2 / 3-[N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methylanilino]phenol;hydrochloride

Standard CAS: 73-05-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
73-05-2
Multi CAS
Yes
Molecular Formula
C17H20CLN3O
Molecular Weight
317.800000
Exact Mass
317.129490
InChI
InChI=1S/C17H19N3O.ClH/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15;/h2-8,11,21H,9-10,12H2,1H3,(H,18,19);1H
InChIKey
TUEJFGFQYKDAPM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.24
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
93.84
TPSA
47.86

LogP / Solubility

WLOGP
3.26
MLOGP
2.88
XLogP3
3.26
Consensus LogP
3.13
Log S (ESOL)
-4.01
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.52
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.91
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.34

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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