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CAS 385800-16-8 (S)-2-(methylsulfonyl)ethyl 2-(6-methoxynaphthalen-2-yl)propanoate(WXG02261) molecular structure lightbox
CAS RN: 385800-16-8

(S)-2-(methylsulfonyl)ethyl 2-(6-methoxynaphthalen-2-yl)propanoate(WXG02261)

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251218 5mg / 10mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS385800-16-8
  • Purity/Analytical Methods: >99.0%
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385800-16-8 / 2-methylsulfonylethyl 2-(6-methoxynaphthalen-2-yl)propanoate

Standard CAS: 385800-16-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
385800-16-8
Multi CAS
Yes
Molecular Formula
C17H20O5S
Molecular Weight
336.400000
Exact Mass
336.103145
InChI
InChI=1S/C17H20O5S/c1-12(17(18)22-8-9-23(3,19)20)13-4-5-15-11-16(21-2)7-6-14(15)10-13/h4-7,10-12H,8-9H2,1-3H3/t12-/m0/s1
InChIKey
JGBUBSOKFSVXKS-LBPRGKRZSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
10
Fraction Csp3
0.35
Rotatable bonds
6
H-bond acceptors
5
Molar refractivity
89.58
TPSA
69.67

LogP / Solubility

WLOGP
2.54
MLOGP
2.25
XLogP3
2.5
Consensus LogP
2.43
Log S (ESOL)
-3.45
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.15
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.67
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.97

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

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