CAS RN: 550-83-4
PROPOXYCAINE HYDROCHLORIDE (200 MG)
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3 package records3 with current stock1 grade group
- Product code: starshine_CAS550-83-4
- Purity/Analytical Methods: >99.0%
550-83-4 / 2-(diethylamino)ethyl 4-amino-2-propoxybenzoate;hydrochloride
Basic Information
CAS
550-83-4
Multi CAS
Yes
Molecular Formula
C16H27CLN2O3
Molecular Weight
330.800000
Exact Mass
330.171020
InChI
InChI=1S/C16H26N2O3.ClH/c1-4-10-20-15-12-13(17)7-8-14(15)16(19)21-11-9-18(5-2)6-3;/h7-8,12H,4-6,9-11,17H2,1-3H3;1H
InChIKey
GITPCGSPKUQZTE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
9
H-bond acceptors
5
H-bond donors
1
Molar refractivity
91.96
TPSA
64.79
LogP / Solubility
WLOGP
2.98
MLOGP
2.64
XLogP3
2.98
Consensus LogP
2.87
Log S (ESOL)
-3.38
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.42
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.36
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.62
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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![CAS 552-02-3 [1aR-(1aalpha,4beta,4abeta,7alpha,7abeta,7balpha)]-decahydro-1,1,4,7-tetramethyl-1H-cycloprop[e]azulen-4-ol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/552-02-3.gif)
