[email protected]
CAS 312693-01-9 6-ETHOXY-6-OXOHEXYLZINC BROMIDE molecular structure lightbox
CAS RN: 312693-01-9

6-ETHOXY-6-OXOHEXYLZINC BROMIDE

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260701 50ml Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS312693-01-9
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

312693-01-9 / bromozinc(1+);ethyl hexanoate

Standard CAS: 312693-01-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
312693-01-9
Multi CAS
Yes
Molecular Formula
C8H15BRO2ZN
Molecular Weight
288.500000
Exact Mass
285.954680
InChI
InChI=1S/C8H15O2.BrH.Zn/c1-3-5-6-7-8(9)10-4-2;;/h1,3-7H2,2H3;1H;/q-1;;+2/p-1
InChIKey
ZISDBYYELZLQGH-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.75
Rotatable bonds
5
H-bond acceptors
2
Molar refractivity
49.39
TPSA
26.3

LogP / Solubility

WLOGP
2.79
MLOGP
2.46
XLogP3
2.79
Consensus LogP
2.68
Log S (ESOL)
-3.05
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.94
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.45
Class (SILICOS-IT)
Slightly 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)
-2.5

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

Customers Also Viewed

Get In Touch

Contact Us