![CAS 347850-26-4 1-Pyrrolidinecarboxylic acid, 3-acetyl-4-[3-(cyclopentyloxy)-4-methoxyphenyl]-3-methyl-, methyl ester, (3S,4S)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/347850-26-4.gif)
CAS RN: 347850-26-4
1-Pyrrolidinecarboxylic acid, 3-acetyl-4-[3-(cyclopentyloxy)-4-methoxyphenyl]-3-methyl-, methyl ester, (3S,4S)-
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250412 | 1mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS347850-26-4
- Purity/Analytical Methods: >99.0%
347850-26-4 / methyl (3S,4S)-3-acetyl-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylpyrrolidine-1-carboxylate
Basic Information
CAS
347850-26-4
Multi CAS
No
Molecular Formula
C21H29NO5
Molecular Weight
375.500000
Exact Mass
375.204573
InChI
InChI=1S/C21H29NO5/c1-14(23)21(2)13-22(20(24)26-4)12-17(21)15-9-10-18(25-3)19(11-15)27-16-7-5-6-8-16/h9-11,16-17H,5-8,12-13H2,1-4H3/t17-,21-/m0/s1
InChIKey
YTFBNFMILWHYAP-UWJYYQICSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
6
Fraction Csp3
0.62
Rotatable bonds
5
H-bond acceptors
5
Molar refractivity
101.39
TPSA
65.07
LogP / Solubility
WLOGP
3.78
MLOGP
3.35
XLogP3
2.9
Consensus LogP
3.34
Log S (ESOL)
-4.38
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.37
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.84
Class (SILICOS-IT)
Slightly soluble
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)
-2.33
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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