![CAS 1879080-16-6 2H-Pyran-4-propanoic acid, α-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]tetrahydro-, (αR)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1879080-16-6.gif)
CAS RN: 1879080-16-6
2H-Pyran-4-propanoic acid, α-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]tetrahydro-, (αR)-
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260217 | 100mg / 500mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1879080-16-6
- Purity/Analytical Methods: >99.0%
1879080-16-6 / (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(oxan-4-yl)propanoic acid
Basic Information
CAS
1879080-16-6
Multi CAS
No
Molecular Formula
C23H25NO5
Molecular Weight
395.400000
Exact Mass
395.173273
SMILES
C1COCCC1C[C@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C23H25NO5/c25-22(26)21(13-15-9-11-28-12-10-15)24-23(27)29-14-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-8,15,20-21H,9-14H2,(H,24,27)(H,25,26)/t21-/m1/s1
InChIKey
GHWBOWNFASFNHK-OAQYLSRUSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
12
Fraction Csp3
0.39
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
2
Molar refractivity
107.79
TPSA
84.86
LogP / Solubility
WLOGP
3.8
MLOGP
3.36
XLogP3
3.6
Consensus LogP
3.59
Log S (ESOL)
-4.59
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.54
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.1
Class (SILICOS-IT)
Insoluble
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)
-2.44
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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