CAS RN: 942518-21-0
FMoc-Hpg-OH
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock2 grade groups
- Product code: SSC-208920
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: 0.1g, 0.25g, 1g, 5g
- 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.
942518-21-0 / (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)hex-5-ynoic acid
Basic Information
CAS
942518-21-0
Multi CAS
Yes
Molecular Formula
C21H19NO4
Molecular Weight
349.400000
Exact Mass
349.131408
InChI
InChI=1S/C21H19NO4/c1-2-3-12-19(20(23)24)22-21(25)26-13-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h1,4-11,18-19H,3,12-13H2,(H,22,25)(H,23,24)/t19-/m0/s1
InChIKey
IISRBJULQYVYGV-IBGZPJMESA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.24
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
97.7
TPSA
75.63
LogP / Solubility
WLOGP
3.39
MLOGP
3
XLogP3
3.6
Consensus LogP
3.33
Log S (ESOL)
-4.09
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.87
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.47
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.44
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3
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