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CAS 437742-34-2 MarizoMib molecular structure lightbox
CAS RN: 437742-34-2

MarizoMib

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3 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250924 5mg Out of stock 5-7 business days Inquiry
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Batchno.20260608 1mg In stock Shanghai Inquiry
Batchno.20260601 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS437742-34-2
  • Purity/Analytical Methods: >99.0%
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437742-34-2 / (1R,4R,5S)-4-(2-chloroethyl)-1-[(S)-[(1S)-cyclohex-2-en-1-yl]-hydroxymethyl]-5-methyl-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione

Standard CAS: 437742-34-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
437742-34-2
Multi CAS
Yes
Molecular Formula
C15H20CLNO4
Molecular Weight
313.770000
Exact Mass
313.108086
InChI
InChI=1S/C15H20ClNO4/c1-14-10(7-8-16)12(19)17-15(14,13(20)21-14)11(18)9-5-3-2-4-6-9/h3,5,9-11,18H,2,4,6-8H2,1H3,(H,17,19)/t9-,10+,11+,14+,15+/m1/s1
InChIKey
NGWSFRIPKNWYAO-SHTIJGAHSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Fraction Csp3
0.73
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
76.69
TPSA
75.63

LogP / Solubility

WLOGP
1.13
MLOGP
1.01
XLogP3
1.8
Consensus LogP
1.31
Log S (ESOL)
-2.24
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.95
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.12
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.83

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
5

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