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CAS 98717-15-8 Ropivacaine hydrochloride molecular structure lightbox
CAS RN: 98717-15-8

Ropivacaine hydrochloride

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260411 1g In stock Shanghai Inquiry
Batchno.20250516 25g In stock Shanghai Inquiry
Batchno.20251210 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS98717-15-8
  • Purity/Analytical Methods: >99.0%
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98717-15-8 / (2S)-N-(2,6-dimethylphenyl)-1-propylpiperidine-2-carboxamide;hydrochloride

Standard CAS: 98717-15-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
98717-15-8
Multi CAS
Yes
Molecular Formula
C17H27CLN2O
Molecular Weight
310.900000
Exact Mass
310.181191
InChI
InChI=1S/C17H26N2O.ClH/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);1H/t15-;/m0./s1
InChIKey
NDNSIBYYUOEUSV-RSAXXLAASA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.59
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
91.3
TPSA
32.34

LogP / Solubility

WLOGP
3.93
MLOGP
3.47
XLogP3
3.93
Consensus LogP
3.78
Log S (ESOL)
-4.19
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.95
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.42
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.83

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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