CAS RN: 173690-47-6
6-((((9H-Fluoren-9-yl)methoxy)carbonyl)(methyl)amino)hexanoic acid
Product Availability
Choose a grade to view its available package options.
6 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250704 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20250110 | 100mg / 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20250223 | 10g | Out of stock | Inquiry | ||
| Batchno.20250820 | 1g | In stock | Shanghai, Shenzhen | Inquiry | |
| Batchno.20250930 | 250mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry | |
| Batchno.20250617 | 5g | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS173690-47-6
- Purity/Analytical Methods: >99.0%
173690-47-6 / 6-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]hexanoic acid
Basic Information
CAS
173690-47-6
Multi CAS
No
Molecular Formula
C22H25NO4
Molecular Weight
367.400000
Exact Mass
367.178358
SMILES
CN(CCCCCC(=O)O)C(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C22H25NO4/c1-23(14-8-2-3-13-21(24)25)22(26)27-15-20-18-11-6-4-9-16(18)17-10-5-7-12-19(17)20/h4-7,9-12,20H,2-3,8,13-15H2,1H3,(H,24,25)
InChIKey
PNRDWMGJZQEECF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.36
Rotatable bonds
8
H-bond acceptors
3
H-bond donors
1
Molar refractivity
103.8
TPSA
66.84
LogP / Solubility
WLOGP
4.51
MLOGP
3.99
XLogP3
3.8
Consensus LogP
4.1
Log S (ESOL)
-4.76
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.83
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.75
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.76
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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