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CAS 343832-73-5 METHYL [4,5-DIMETHOXY-2-(MORPHOLINE-4-SULFONYL)-PHENYL]-ACETATE molecular structure lightbox
CAS RN: 343832-73-5

METHYL [4,5-DIMETHOXY-2-(MORPHOLINE-4-SULFONYL)-PHENYL]-ACETATE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250118 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS343832-73-5
  • Purity/Analytical Methods: >99.0%
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343832-73-5 / methyl 2-(4,5-dimethoxy-2-morpholin-4-ylsulfonylphenyl)acetate

Standard CAS: 343832-73-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
343832-73-5
Multi CAS
No
Molecular Formula
C15H21NO7S
Molecular Weight
359.400000
Exact Mass
359.103873
InChI
InChI=1S/C15H21NO7S/c1-20-12-8-11(9-15(17)22-3)14(10-13(12)21-2)24(18,19)16-4-6-23-7-5-16/h8,10H,4-7,9H2,1-3H3
InChIKey
HXCLKJTZHKSWRJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
6
H-bond acceptors
7
Molar refractivity
84.84
TPSA
91.37

LogP / Solubility

WLOGP
0.44
MLOGP
0.41
XLogP3
0.4
Consensus LogP
0.42
Log S (ESOL)
-2.13
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.82
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.08
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.6

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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