CAS RN: 1279028-21-5
O-Benzyl-D-serine benzyl ester hydrochloride
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.20251128 | 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-035256
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 | Shanghai | Inquiry |
1279028-21-5 / benzyl (2R)-2-amino-3-phenylmethoxypropanoate;hydrochloride
Basic Information
CAS
1279028-21-5
Multi CAS
No
Molecular Formula
C17H20ClNO3
Molecular Weight
321.800000
Exact Mass
321.113171
SMILES
C1=CC=C(C=C1)COC[C@H](C(=O)OCC2=CC=CC=C2)N.Cl
InChI
InChI=1S/C17H19NO3.ClH/c18-16(13-20-11-14-7-3-1-4-8-14)17(19)21-12-15-9-5-2-6-10-15;/h1-10,16H,11-13,18H2;1H/t16-;/m1./s1
InChIKey
BGAVLJMLSSCOSD-PKLMIRHRSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.24
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
1
Molar refractivity
87.56
TPSA
61.55
LogP / Solubility
WLOGP
2.7
MLOGP
2.39
XLogP3
2.7
Consensus LogP
2.6
Log S (ESOL)
-3.48
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.15
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.83
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)
-2.77
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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