![CAS 1041016-94-7 N-[(2S)-2-AMINO-2-PHENYLETHYL]-CARBAMIC ACID PHENYLMETHYL ESTER HYDROCHLORIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1041016-94-7.gif)
CAS RN: 1041016-94-7
N-[(2S)-2-AMINO-2-PHENYLETHYL]-CARBAMIC ACID PHENYLMETHYL 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.20250307 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-005874
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 | Shenzhen | Inquiry |
1041016-94-7 / benzyl N-[(2S)-2-amino-2-phenylethyl]carbamate;hydrochloride
(S)-(2-Amino-2-phenyl-ethyl)-carbamic acid benzyl ester hydrochloride | MFCD11849125 | N-[(2S)-2-AMINO-2-PHENYLETHYL]-CARBAMIC ACID PHENYLMETHYL ESTER HYDROCHLORIDE
Basic Information
CAS
1041016-94-7
Multi CAS
Yes
Molecular Formula
C16H19ClN2O2
Molecular Weight
306.790000
Exact Mass
306.113506
SMILES
C1=CC=C(C=C1)COC(=O)NC[C@H](C2=CC=CC=C2)N.Cl
InChI
InChI=1S/C16H18N2O2.ClH/c17-15(14-9-5-2-6-10-14)11-18-16(19)20-12-13-7-3-1-4-8-13;/h1-10,15H,11-12,17H2,(H,18,19);1H/t15-;/m1./s1
InChIKey
NNEWKYXUALWCHN-XFULWGLBSA-N
Synonyms
(S)-(2-Amino-2-phenyl-ethyl)-carbamic acid benzyl ester hydrochloride
MFCD11849125
N-[(2S)-2-AMINO-2-PHENYLETHYL]-CARBAMIC ACID PHENYLMETHYL ESTER HYDROCHLORIDE
benzyl N-[(2S)-2-amino-2-phenylethyl]carbamate hydrochloride
benzyl N-[(2S)-2-amino-2-phenylethyl]carbamate;hydrochloride
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.19
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
85.25
TPSA
64.35
LogP / Solubility
WLOGP
3.03
MLOGP
2.68
XLogP3
3.03
Consensus LogP
2.91
Log S (ESOL)
-3.75
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.27
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.77
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
Leadlikeness
Yes
Synthetic Accessibility
3
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