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CAS 265330-98-1 5-ETHOXY-5-OXOPENTYLZINC BROMIDE molecular structure lightbox
CAS RN: 265330-98-1

5-ETHOXY-5-OXOPENTYLZINC BROMIDE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251017 50ml Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS265330-98-1
  • Purity/Analytical Methods: >99.0%
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265330-98-1 / bromozinc(1+);ethyl pentanoate

Standard CAS: 265330-98-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
265330-98-1
Multi CAS
No
Molecular Formula
C7H13BrO2Zn
Molecular Weight
274.500000
Exact Mass
271.939030
SMILES
CCOC(=O)CCC[CH2-].[Zn+]Br
InChI
InChI=1S/C7H13O2.BrH.Zn/c1-3-5-6-7(8)9-4-2;;/h1,3-6H2,2H3;1H;/q-1;;+2/p-1
InChIKey
JJSSUZYKRQXNFR-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.71
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
44.77
TPSA
26.3

LogP / Solubility

WLOGP
2.4
MLOGP
2.12
XLogP3
2.4
Consensus LogP
2.31
Log S (ESOL)
-2.79
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.54
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.91
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.69

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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