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CAS 32760-16-0 Benzonatate molecular structure lightbox
CAS RN: 32760-16-0

Benzonatate

Product Availability

Available package options are listed below.

1 package records0 with current stock
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251116 5mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS32760-16-0
  • Purity/Analytical Methods: >99.0%
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32760-16-0 / 4-(butylamino)benzoic acid

Standard CAS: 32760-16-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
32760-16-0
Multi CAS
Yes
Molecular Formula
C11H15NO2
Molecular Weight
193.240000
Exact Mass
193.110279
InChI
InChI=1S/C11H15NO2/c1-2-3-8-12-10-6-4-9(5-7-10)11(13)14/h4-7,12H,2-3,8H2,1H3,(H,13,14)
InChIKey
YCCRFDDXAVMSLM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
2
Molar refractivity
56.8
TPSA
49.33

LogP / Solubility

WLOGP
2.6
MLOGP
2.28
XLogP3
3.4
Consensus LogP
2.76
Log S (ESOL)
-2.66
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.02
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.67
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.06

Drug-likeness / Medicinal Chemistry

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

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