CAS RN: 1357160-72-5
URB937
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7 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250831 | 100mg | Out of stock | Inquiry | |
| Batchno.20250526 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250814 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20260509 | 250mg | Out of stock | Inquiry | |
| Batchno.20250513 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20260416 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20250510 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1357160-72-5
- Purity/Analytical Methods: >99.0%
1357160-72-5 / [3-(3-carbamoylphenyl)-4-hydroxyphenyl] N-cyclohexylcarbamate
Basic Information
CAS
1357160-72-5
Multi CAS
No
Molecular Formula
C20H22N2O4
Molecular Weight
354.400000
Exact Mass
354.157957
SMILES
C1CCC(CC1)NC(=O)OC2=CC(=C(C=C2)O)C3=CC(=CC=C3)C(=O)N
InChI
InChI=1S/C20H22N2O4/c21-19(24)14-6-4-5-13(11-14)17-12-16(9-10-18(17)23)26-20(25)22-15-7-2-1-3-8-15/h4-6,9-12,15,23H,1-3,7-8H2,(H2,21,24)(H,22,25)
InChIKey
CMEQHOXCIGFZNJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.3
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
3
Molar refractivity
98.09
TPSA
101.65
LogP / Solubility
WLOGP
3.58
MLOGP
3.17
XLogP3
3.5
Consensus LogP
3.42
Log S (ESOL)
-4.37
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.05
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.41
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
Safety & Transport
GHS Hazard Statements
Not Classified
Reported as not meeting GHS hazard criteria by 38 of 38 companies. For more detailed information, please visit ECHA C&L website.
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