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CAS 196599-80-1 1,2-Bis(4-methoxyphenyl)-2-oxoethyl Cyclohexylcarbamate molecular structure lightbox
CAS RN: 196599-80-1

1,2-Bis(4-methoxyphenyl)-2-oxoethyl Cyclohexylcarbamate

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250704 100mg In stock Shanghai Inquiry
Batchno.20251018 1g In stock Shanghai Inquiry
Batchno.20260613 250mg In stock Shanghai Inquiry
  • Product code: SSC-092826
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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: 0.25g, 1g, 5g
  • Available purity: >98%
  • Inventory rows with stock: 4
  • 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 196599-80-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g -- 1 In Stock Shenzhen Inquiry
0.25g >98% 1 In Stock Beijing Inquiry
1g -- 1 In Stock Hong Kong Inquiry
1g >98% 1 In Stock Shenzhen Inquiry
5g -- 0 Out of Stock Hong Kong Inquiry
5g >98% 0 Out of Stock Shanghai Inquiry

196599-80-1 / [1,2-bis(4-methoxyphenyl)-2-oxoethyl] N-cyclohexylcarbamate

Standard CAS: 196599-80-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
196599-80-1
Multi CAS
No
Molecular Formula
C23H27NO5
Molecular Weight
397.500000
Exact Mass
397.188923
SMILES
COC1=CC=C(C=C1)C(C(=O)C2=CC=C(C=C2)OC)OC(=O)NC3CCCCC3
InChI
InChI=1S/C23H27NO5/c1-27-19-12-8-16(9-13-19)21(25)22(17-10-14-20(28-2)15-11-17)29-23(26)24-18-6-4-3-5-7-18/h8-15,18,22H,3-7H2,1-2H3,(H,24,26)
InChIKey
MTNUOOJIYAKURM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
12
Fraction Csp3
0.39
Rotatable bonds
7
H-bond acceptors
5
H-bond donors
1
Molar refractivity
109.55
TPSA
73.86

LogP / Solubility

WLOGP
4.69
MLOGP
4.15
XLogP3
4.8
Consensus LogP
4.55
Log S (ESOL)
-5.1
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.2
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.97
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.82

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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