![CAS 367273-07-2 Benzoic acid, 4-[[(4-chloro-5,6,7,8-tetrahydro-3-hydroxy-5,5,8,8-tetraMethyl-2-naphthalenyl)carbonyl]aMino]-2,6-difluoro- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/367273-07-2(2).gif)
CAS RN: 367273-07-2
Benzoic acid, 4-[[(4-chloro-5,6,7,8-tetrahydro-3-hydroxy-5,5,8,8-tetraMethyl-2-naphthalenyl)carbonyl]aMino]-2,6-difluoro-
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250517 | 2mg / 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS367273-07-2
- Purity/Analytical Methods: >99.0%
367273-07-2 / 4-[(4-chloro-3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]-2,6-difluorobenzoic acid
Basic Information
CAS
367273-07-2
Multi CAS
No
Molecular Formula
C22H22CLF2NO4
Molecular Weight
437.900000
Exact Mass
437.120542
InChI
InChI=1S/C22H22ClF2NO4/c1-21(2)5-6-22(3,4)16-12(21)9-11(18(27)17(16)23)19(28)26-10-7-13(24)15(20(29)30)14(25)8-10/h7-9,27H,5-6H2,1-4H3,(H,26,28)(H,29,30)
InChIKey
PNAWUIKCVQSLFG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
12
Fraction Csp3
0.36
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
3
Molar refractivity
109.67
TPSA
86.63
LogP / Solubility
WLOGP
5.62
MLOGP
4.98
XLogP3
6.4
Consensus LogP
5.67
Log S (ESOL)
-6.2
Class (ESOL)
Insoluble
Log S (Ali)
-7.21
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.53
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
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)
-1.4
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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