CAS RN: 270596-44-6
BOC-(S)-3-AMINO-(6-PHENYL)-5-HEXENOIC ACID
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250419 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-125747
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 |
270596-44-6 / (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenylhex-5-enoic acid
Basic Information
CAS
270596-44-6
Multi CAS
No
Molecular Formula
C17H23NO4
Molecular Weight
305.400000
Exact Mass
305.162708
SMILES
CC(C)(C)OC(=O)N[C@@H](CC=CC1=CC=CC=C1)CC(=O)O
InChI
InChI=1S/C17H23NO4/c1-17(2,3)22-16(21)18-14(12-15(19)20)11-7-10-13-8-5-4-6-9-13/h4-10,14H,11-12H2,1-3H3,(H,18,21)(H,19,20)/t14-/m0/s1
InChIKey
ZEIROKVMYFFJKQ-AWEZNQCLSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.41
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
85.5
TPSA
75.63
LogP / Solubility
WLOGP
3.46
MLOGP
3.06
XLogP3
3.1
Consensus LogP
3.21
Log S (ESOL)
-3.72
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.56
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.23
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.13
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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