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: 1g
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
186320-14-9 / 4-[4-(9H-fluoren-9-ylmethoxycarbonylamino)phenyl]butanoic acid
Basic Information
CAS
186320-14-9
Multi CAS
No
Molecular Formula
C25H23NO4
Molecular Weight
401.500000
Exact Mass
401.162708
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC4=CC=C(C=C4)CCCC(=O)O
InChI
InChI=1S/C25H23NO4/c27-24(28)11-5-6-17-12-14-18(15-13-17)26-25(29)30-16-23-21-9-3-1-7-19(21)20-8-2-4-10-22(20)23/h1-4,7-10,12-15,23H,5-6,11,16H2,(H,26,29)(H,27,28)
InChIKey
WDPZRHXDZBKJQJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
18
Fraction Csp3
0.2
Rotatable bonds
7
H-bond acceptors
3
H-bond donors
2
Molar refractivity
115.71
TPSA
75.63
LogP / Solubility
WLOGP
5.45
MLOGP
4.82
XLogP3
4.7
Consensus LogP
4.99
Log S (ESOL)
-5.75
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.79
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.64
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)
-1.3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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N-FMOC-5-AMINO-2-CHLOROBENZOIC ACID
- CAS RN: 186320-16-1
- Product Code: starshine_CAS186320-16-1
- Purity/Analytical method: >99.0%
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