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CAS 7700-27-8 4-BENZYLOXYCHLOROBENZENE molecular structure lightbox
CAS RN: 7700-27-8

4-BENZYLOXYCHLOROBENZENE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250520 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS7700-27-8
  • Purity/Analytical Methods: >99.0%
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7700-27-8 / 1-chloro-4-phenylmethoxybenzene

Standard CAS: 7700-27-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
7700-27-8
Multi CAS
No
Molecular Formula
C13H11CLO
Molecular Weight
218.680000
Exact Mass
218.049843
InChI
InChI=1S/C13H11ClO/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKey
OBCBJNFGAMHBTC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
62.23
TPSA
9.23

LogP / Solubility

WLOGP
3.92
MLOGP
3.45
XLogP3
4.4
Consensus LogP
3.92
Log S (ESOL)
-4.06
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.18
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.69
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.27

Drug-likeness / Medicinal Chemistry

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

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