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CAS 1384265-30-8 Methyl 1-(4-BroMophenyl)-4-oxocyclohexanecarboxylate molecular structure lightbox
CAS RN: 1384265-30-8

Methyl 1-(4-BroMophenyl)-4-oxocyclohexanecarboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260105 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-048400
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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, 10g, 0.1g
  • Available purity: ≥95%
  • Inventory rows with stock: 5
  • 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 1384265-30-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 5 In Stock Shanghai Inquiry
5g ≥95% 5 In Stock Beijing Inquiry
0.25g ≥95% 4 In Stock Shanghai Inquiry
10g ≥95% 4 In Stock Hong Kong Inquiry
0.1g ≥95% 2 In Stock Shenzhen Inquiry

1384265-30-8 / methyl 1-(4-bromophenyl)-4-oxocyclohexane-1-carboxylate

Standard CAS: 1384265-30-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1384265-30-8
Multi CAS
No
Molecular Formula
C14H15BrO3
Molecular Weight
311.170000
Exact Mass
310.020460
SMILES
COC(=O)C1(CCC(=O)CC1)C2=CC=C(C=C2)Br
InChI
InChI=1S/C14H15BrO3/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
KWRSQQQEMTWZTI-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
71.31
TPSA
43.37

LogP / Solubility

WLOGP
3
MLOGP
2.66
XLogP3
2.4
Consensus LogP
2.69
Log S (ESOL)
-3.78
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.28
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.42
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.49

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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