![CAS 1108622-91-8 3-Quinolinepropanoic acid, α-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (αR)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1108622-91-8.gif)
CAS RN: 1108622-91-8
3-Quinolinepropanoic acid, α-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (αR)-
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.20260325 | 50mg / 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-011795
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 0.25g
- Available purity: >95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | >95% | 0 Out of Stock | Shenzhen | Inquiry |
1108622-91-8 / (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-quinolin-3-ylpropanoic acid
(R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(quinolin-3-yl)propanoic acid | MFCD01632018 | (2R)-2-Fmoc-amino-3-(3-quinolyl)propanoic acid
Basic Information
CAS
1108622-91-8
Multi CAS
No
Molecular Formula
C27H22N2O4
Molecular Weight
438.500000
Exact Mass
438.157957
SMILES
C1=CC=C2C(=C1)C=C(C=N2)C[C@H](C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C27H22N2O4/c30-26(31)25(14-17-13-18-7-1-6-12-24(18)28-15-17)29-27(32)33-16-23-21-10-4-2-8-19(21)20-9-3-5-11-22(20)23/h1-13,15,23,25H,14,16H2,(H,29,32)(H,30,31)/t25-/m1/s1
InChIKey
HZZZBOUYIXBVNP-RUZDIDTESA-N
Synonyms
(R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(quinolin-3-yl)propanoic acid
MFCD01632018
(2R)-2-Fmoc-amino-3-(3-quinolyl)propanoic acid
(2R)-2-[(fluoren-9-ylmethoxy)carbonylamino]-3-(3-quinolyl)propanoic Acid
Fmoc-3-(3-Quinolyl)-D-Ala-OH
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
22
Fraction Csp3
0.15
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
2
Molar refractivity
125.08
TPSA
88.52
LogP / Solubility
WLOGP
4.77
MLOGP
4.23
XLogP3
4.9
Consensus LogP
4.63
Log S (ESOL)
-5.66
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.6
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.19
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)
-2.01
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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