![CAS 87173-97-5 (+/-)-(5ALPHA,7ALPHA,8BETA)-3,4-DICHLORO-N-METHYL-N-(7-[1-PYRROLIDINYL]-1-OXASPIRO[4.5]DEC-8-YL)BENZENEACETAMIDE MESYLATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/87173-97-5.gif)
CAS RN: 87173-97-5
(+/-)-(5ALPHA,7ALPHA,8BETA)-3,4-DICHLORO-N-METHYL-N-(7-[1-PYRROLIDINYL]-1-OXASPIRO[4.5]DEC-8-YL)BENZENEACETAMIDE MESYLATE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250220 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS87173-97-5
- Purity/Analytical Methods: >99.0%
87173-97-5 / 2-(3,4-dichlorophenyl)-N-methyl-N-[(5R,7S,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide;methanesulfonic acid
Basic Information
CAS
87173-97-5
Multi CAS
Yes
Molecular Formula
C23H34CL2N2O5S
Molecular Weight
521.500000
Exact Mass
520.156549
InChI
InChI=1S/C22H30Cl2N2O2.CH4O3S/c1-25(21(27)14-16-5-6-17(23)18(24)13-16)19-7-9-22(8-4-12-28-22)15-20(19)26-10-2-3-11-26;1-5(2,3)4/h5-6,13,19-20H,2-4,7-12,14-15H2,1H3;1H3,(H,2,3,4)/t19-,20-,22-;/m0./s1
InChIKey
FHEZDPDAYTVKKG-JLBKCEDKSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
6
Fraction Csp3
0.7
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
130.56
TPSA
87.15
LogP / Solubility
WLOGP
4.06
MLOGP
3.62
XLogP3
4.06
Consensus LogP
3.91
Log S (ESOL)
-5.5
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.77
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.9
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.02
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5
Customers Also Viewed
-
H-LEU-PRO-OH HCL
- CAS RN: 87178-63-0
- Product Code: starshine_CAS87178-63-0
- Purity/Analytical method: >99.0%
-
-
2-[(TERT-BUTOXYCARBONYL)AMINO]-3-(3-FLUOROPHENYL)PROPANOIC ACID
- CAS RN: 87184-23-4
- Product Code: SSC-196859
-
-
-
![CAS 87184-23-4 2-[(TERT-BUTOXYCARBONYL)AMINO]-3-(3-FLUOROPHENYL)PROPANOIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/87184-23-4.gif)
![CAS 87184-80-3 5-[(tert-Butyldimethylsilyl)oxy]pentanal molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/87184-80-3.gif)
