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CAS 98717-16-9 Ropivacaine impurity G molecular structure lightbox
CAS RN: 98717-16-9

Ropivacaine impurity G

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260225 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS98717-16-9
  • Purity/Analytical Methods: >99.0%
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98717-16-9 / N-(2,6-dimethylphenyl)-1-propylpiperidine-2-carboxamide

Standard CAS: 98717-16-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
98717-16-9
Multi CAS
Yes
Molecular Formula
C17H26N2O
Molecular Weight
274.400000
Exact Mass
274.204513
InChI
InChI=1S/C17H26N2O/c1-4-11-19-12-6-5-10-15(19)17(20)18-16-13(2)8-7-9-14(16)3/h7-9,15H,4-6,10-12H2,1-3H3,(H,18,20)/t15-/m1/s1
InChIKey
ZKMNUMMKYBVTFN-OAHLLOKOSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.59
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
84.05
TPSA
32.34

LogP / Solubility

WLOGP
3.51
MLOGP
3.09
XLogP3
2.9
Consensus LogP
3.17
Log S (ESOL)
-3.71
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.34
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.83
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)
-1.9

Drug-likeness / Medicinal Chemistry

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

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