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CAS 29296-32-0 1,4,10,13-TETRAOXA-7,16-DIAZACYCLOOCTADECANE molecular structure lightbox
CAS RN: 29296-32-0

1,4,10,13-TETRAOXA-7,16-DIAZACYCLOOCTADECANE

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260311 100mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS29296-32-0
  • Purity/Analytical Methods: >99.0%
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29296-32-0 / 1-(chloromethyl)-4-ethenylbenzene

Standard CAS: 29296-32-0 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
29296-32-0
Multi CAS
Yes
Molecular Formula
C9H9CL
Molecular Weight
152.620000
Exact Mass
152.039278
InChI
InChI=1S/C9H9Cl/c1-2-8-3-5-9(7-10)6-4-8/h2-6H,1,7H2
InChIKey
ZRZHXNCATOYMJH-UHFFFAOYSA-N

Physical Properties

Physical Description
Liquid Liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.11
Rotatable bonds
2
Molar refractivity
46.09
TPSA
0.0000

LogP / Solubility

WLOGP
3.07
MLOGP
2.69
XLogP3
3.1
Consensus LogP
2.95
Log S (ESOL)
-3.03
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.03
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.44
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)
-1.47

Drug-likeness / Medicinal Chemistry

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

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