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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
1191429-20-5 / (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)dec-9-enoic acid
(R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)dec-9-enoic acid | MFCD08062268 | (R)-N-Fmoc-2-(7-octenyl)glycine
Basic Information
CAS
1191429-20-5
Multi CAS
Yes
Molecular Formula
C25H29NO4
Molecular Weight
407.500000
Exact Mass
407.209658
SMILES
C=CCCCCCC[C@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C25H29NO4/c1-2-3-4-5-6-7-16-23(24(27)28)26-25(29)30-17-22-20-14-10-8-12-18(20)19-13-9-11-15-21(19)22/h2,8-15,22-23H,1,3-7,16-17H2,(H,26,29)(H,27,28)/t23-/m1/s1
InChIKey
KXYYRDGOGQGGED-HSZRJFAPSA-N
Synonyms
(R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)dec-9-enoic acid
MFCD08062268
(R)-N-Fmoc-2-(7-octenyl)glycine
9-Decenoic acid, 2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (2R)-
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)dec-9-enoic acid
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
12
Fraction Csp3
0.36
Rotatable bonds
11
H-bond acceptors
3
H-bond donors
2
Molar refractivity
117.53
TPSA
75.63
LogP / Solubility
WLOGP
5.5
MLOGP
4.87
XLogP3
6.1
Consensus LogP
5.49
Log S (ESOL)
-5.4
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.88
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.2
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
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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