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CAS 29066-42-0 antibiotic 1233A molecular structure lightbox
CAS RN: 29066-42-0

antibiotic 1233A

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2 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250626 1mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250213 1mg, 2.5mg Confirm by inquiry Inquiry
  • Product code: starshine_CAS29066-42-0
  • Purity/Analytical Methods: >99.0%
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29066-42-0 / (7R)-11-[(2R,3R)-3-(hydroxymethyl)-4-oxooxetan-2-yl]-3,5,7-trimethylundeca-2,4-dienoic acid

Standard CAS: 29066-42-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
29066-42-0
Multi CAS
Yes
Molecular Formula
C18H28O5
Molecular Weight
324.400000
Exact Mass
324.193674
InChI
InChI=1S/C18H28O5/c1-12(8-13(2)9-14(3)10-17(20)21)6-4-5-7-16-15(11-19)18(22)23-16/h9-10,12,15-16,19H,4-8,11H2,1-3H3,(H,20,21)/t12-,15-,16-/m1/s1
InChIKey
ODCZJZWSXPVLAW-DAXOMENPSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Fraction Csp3
0.67
Rotatable bonds
10
H-bond acceptors
4
H-bond donors
2
Molar refractivity
87.85
TPSA
83.83

LogP / Solubility

WLOGP
3.08
MLOGP
2.73
XLogP3
4.6
Consensus LogP
3.47
Log S (ESOL)
-3.13
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.45
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.53
Class (SILICOS-IT)
Slightly 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)
-2.51

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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