![CAS 465527-94-0 Cyclopentanepropanoic acid, 1-[[[3-(4-chlorophenyl)propyl]amino]carbonyl]-α-(2-methoxyethyl)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/465527-94-0.gif)
CAS RN: 465527-94-0
Cyclopentanepropanoic acid, 1-[[[3-(4-chlorophenyl)propyl]amino]carbonyl]-α-(2-methoxyethyl)-
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260209 | 10mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS465527-94-0
- Purity/Analytical Methods: >99.0%
465527-94-0 / 2-[[1-[3-(4-chlorophenyl)propylcarbamoyl]cyclopentyl]methyl]-4-methoxybutanoic acid
Basic Information
CAS
465527-94-0
Multi CAS
No
Molecular Formula
C21H30CLNO4
Molecular Weight
395.900000
Exact Mass
395.186336
InChI
InChI=1S/C21H30ClNO4/c1-27-14-10-17(19(24)25)15-21(11-2-3-12-21)20(26)23-13-4-5-16-6-8-18(22)9-7-16/h6-9,17H,2-5,10-15H2,1H3,(H,23,26)(H,24,25)
InChIKey
UOGBJRPKRSUJRU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
6
Fraction Csp3
0.62
Rotatable bonds
11
H-bond acceptors
3
H-bond donors
2
Molar refractivity
105.92
TPSA
75.63
LogP / Solubility
WLOGP
4.08
MLOGP
3.61
XLogP3
3.9
Consensus LogP
3.86
Log S (ESOL)
-4.3
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.75
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.94
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.24
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
Customers Also Viewed
-
4-(TrifluoroMethoxy)-benzenepropanaMine
- CAS RN: 465529-50-4
- Product Code: starshine_CAS465529-50-4
- Purity/Analytical method: >99.0%
-
5-Bromo-2H-indazole
- CAS RN: 465529-55-9
- Product Code: starshine_CAS465529-55-9
- Purity/Analytical method: >99.0%
-
-
-
5-Pyrimidinecarbonitrile, 2,4,6-triamino-
- CAS RN: 465531-97-9
- Product Code: starshine_CAS465531-97-9
- Purity/Analytical method: >99.0%
-
(4S,4AS,8AS)-4-PHENYLDECAHYDRO-4-QUINOLINOL
- CAS RN: 465536-44-1
- Product Code: starshine_CAS465536-44-1
- Purity/Analytical method: >99.0%
