![CAS 121343-82-6 N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-glutamic Acid molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/f0453-jpgcontextbwfzdgvyfhjvb3r8mza4otl8aw1hz2uvanblz3xondmvagqxlzg5mza2ntewmtmxntavrja0ntmuanbnfdi4mjdlnjc5ndc2yzc3zdrkyjiwzdzhyzazzjy2ogrlnmfhzmq1otzkngrinzeyzdjkoduyzjdlmdixnmziywm.jpeg)
CAS RN: 121343-82-6
N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-glutamic Acid
- Product code: SSC-023351
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: 100g
- 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 |
|---|---|---|---|---|
| 100g | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
121343-82-6 / (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanedioic acid
2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)pentanedioic acid | 2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)pentanedioic acid | 2-([[(9H-Fluoren-9-yl)methoxy]carbonyl]amino)pentanedioic acid
Basic Information
CAS
121343-82-6
Multi CAS
Yes
Molecular Formula
C20H19NO6
Molecular Weight
369.400000
Exact Mass
369.121237
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CCC(=O)O)C(=O)O
InChI
InChI=1S/C20H19NO6/c22-18(23)10-9-17(19(24)25)21-20(26)27-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,16-17H,9-11H2,(H,21,26)(H,22,23)(H,24,25)/t17-/m0/s1
InChIKey
QEPWHIXHJNNGLU-KRWDZBQOSA-N
Synonyms
2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)pentanedioic acid
2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)pentanedioic acid
2-([[(9H-Fluoren-9-yl)methoxy]carbonyl]amino)pentanedioic acid
2-(([(9H-FLUOREN-9-YL)METHOXY]CARBONYL)AMINO)PENTANEDIOIC ACID
RefChem:446665
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.25
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
3
Molar refractivity
96.5
TPSA
112.93
LogP / Solubility
WLOGP
2.84
MLOGP
2.52
XLogP3
2.5
Consensus LogP
2.62
Log S (ESOL)
-3.79
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.64
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.26
Class (SILICOS-IT)
Slightly soluble
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)
-2.95
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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