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CAS 56776-01-3 Tulobuterol Hydrochloride molecular structure lightbox
CAS RN: 56776-01-3

Tulobuterol Hydrochloride

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260317 100mg In stock Inquiry
Batchno.20260619 500mg In stock Inquiry
  • Product code: ICTT2954
  • Purity/Analytical Methods: >98.0%(T)(HPLC)
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56776-01-3 / 2-(tert-butylamino)-1-(2-chlorophenyl)ethanol;hydrochloride

Standard CAS: 56776-01-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
56776-01-3
Multi CAS
Yes
Molecular Formula
C12H19CL2NO
Molecular Weight
264.190000
Exact Mass
263.084370
InChI
InChI=1S/C12H18ClNO.ClH/c1-12(2,3)14-8-11(15)9-6-4-5-7-10(9)13;/h4-7,11,14-15H,8H2,1-3H3;1H
InChIKey
RSLNRVYIRDVHLY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
71.42
TPSA
32.26

LogP / Solubility

WLOGP
3.18
MLOGP
2.81
XLogP3
3.18
Consensus LogP
3.06
Log S (ESOL)
-3.56
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.02
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.38
Class (SILICOS-IT)
Slightly 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)
-2.07

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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