CAS RN: 1239600-18-0

LMT-28

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8 package records5 with current stock2 grade groups
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Batchno.20260225 5mg / 50mg / 200mg Confirm by inquiry Shanghai, Guangdong Inquiry
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  • Product code: starshine_CAS1239600-18-0
  • Purity/Analytical Methods: >99.0%
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1239600-18-0 / (4S)-3-[(2S,3S)-3-hydroxy-2-methyl-4-methylidenenonanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

Standard CAS: 1239600-18-0 Multi CAS: No

Basic Information

CAS
1239600-18-0
Multi CAS
No
Molecular Formula
C17H29NO4
Molecular Weight
311.400000
Exact Mass
311.209658
SMILES
CCCCCC(=C)[C@H]([C@H](C)C(=O)N1[C@H](COC1=O)C(C)C)O
InChI
InChI=1S/C17H29NO4/c1-6-7-8-9-12(4)15(19)13(5)16(20)18-14(11(2)3)10-22-17(18)21/h11,13-15,19H,4,6-10H2,1-3,5H3/t13-,14+,15+/m0/s1
InChIKey
UDXWSYOXIRPYFK-RRFJBIMHSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Fraction Csp3
0.76
Rotatable bonds
8
H-bond acceptors
4
H-bond donors
1
Molar refractivity
85.27
TPSA
66.84

LogP / Solubility

WLOGP
3.12
MLOGP
2.76
XLogP3
4.3
Consensus LogP
3.39
Log S (ESOL)
-3.21
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.37
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.24
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.4

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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