CAS RN: 847153-42-8
FMoc-(R)-3-aMino-2-(tert-butoxyMethyl)propanoic acid
- Product code: SSC-192273
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 | Hong Kong | Inquiry |
847153-42-8 / 2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-3-[(2-methylpropan-2-yl)oxy]propanoic acid
Basic Information
CAS
847153-42-8
Multi CAS
Yes
Molecular Formula
C23H27NO5
Molecular Weight
397.500000
Exact Mass
397.188923
InChI
InChI=1S/C23H27NO5/c1-23(2,3)29-13-15(21(25)26)12-24-22(27)28-14-20-18-10-6-4-8-16(18)17-9-5-7-11-19(17)20/h4-11,15,20H,12-14H2,1-3H3,(H,24,27)(H,25,26)/t15-/m1/s1
InChIKey
PGPAKWBBCOPCSF-OAHLLOKOSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
12
Fraction Csp3
0.39
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
2
Molar refractivity
109.9
TPSA
84.86
LogP / Solubility
WLOGP
4.04
MLOGP
3.58
XLogP3
3.4
Consensus LogP
3.67
Log S (ESOL)
-4.69
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.74
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.44
Class (SILICOS-IT)
Insoluble
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)
-2.28
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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