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CAS 71434-68-9 1-CHLORO-6-PHENYLHEXANE molecular structure lightbox
CAS RN: 71434-68-9

1-CHLORO-6-PHENYLHEXANE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250412 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS71434-68-9
  • Purity/Analytical Methods: >99.0%
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71434-68-9 / 6-chlorohexylbenzene

Standard CAS: 71434-68-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
71434-68-9
Multi CAS
Yes
Molecular Formula
C12H17CL
Molecular Weight
196.710000
Exact Mass
196.101878
InChI
InChI=1S/C12H17Cl/c13-11-7-2-1-4-8-12-9-5-3-6-10-12/h3,5-6,9-10H,1-2,4,7-8,11H2
InChIKey
RCVNHNOEUMFFDY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
6
Molar refractivity
59.33
TPSA
0.0000

LogP / Solubility

WLOGP
4.03
MLOGP
3.54
XLogP3
5.1
Consensus LogP
4.22
Log S (ESOL)
-3.54
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.08
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5
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)
-1.06

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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