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CAS 1363165-99-4 Methyl 1-(4-Chlorophenyl)-4-oxocyclohexanecarboxylate molecular structure lightbox
CAS RN: 1363165-99-4

Methyl 1-(4-Chlorophenyl)-4-oxocyclohexanecarboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251115 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-045221
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 0.25g, 0.1g
  • Available purity: >97%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1363165-99-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 5 In Stock Shenzhen Inquiry
5g >97% 5 In Stock Shanghai Inquiry
0.25g >97% 1 In Stock Beijing Inquiry
0.1g >97% 0 Out of Stock Shenzhen Inquiry

1363165-99-4 / methyl 1-(4-chlorophenyl)-4-oxocyclohexane-1-carboxylate

Standard CAS: 1363165-99-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1363165-99-4
Multi CAS
No
Molecular Formula
C14H15ClO3
Molecular Weight
266.720000
Exact Mass
266.070972
SMILES
COC(=O)C1(CCC(=O)CC1)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C14H15ClO3/c1-18-13(17)14(8-6-12(16)7-9-14)10-2-4-11(15)5-3-10/h2-5H,6-9H2,1H3
InChIKey
JHJVQEVAONNPFP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
68.62
TPSA
43.37

LogP / Solubility

WLOGP
2.89
MLOGP
2.55
XLogP3
2.4
Consensus LogP
2.61
Log S (ESOL)
-3.43
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.84
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.04
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)
-2.29

Drug-likeness / Medicinal Chemistry

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

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