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CAS 130406-31-4 Cbz-(S)-2-phenylglycinol molecular structure lightbox
CAS RN: 130406-31-4

Cbz-(S)-2-phenylglycinol

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251119 250mg Out of stock 15 business days Inquiry
  • Product code: SSC-037045
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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
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 130406-31-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

130406-31-4 / benzyl N-[(1S)-2-hydroxy-1-phenylethyl]carbamate

Standard CAS: 130406-31-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
130406-31-4
Multi CAS
No
Molecular Formula
C16H17NO3
Molecular Weight
271.310000
Exact Mass
271.120843
SMILES
C1=CC=C(C=C1)COC(=O)N[C@H](CO)C2=CC=CC=C2
InChI
InChI=1S/C16H17NO3/c18-11-15(14-9-5-2-6-10-14)17-16(19)20-12-13-7-3-1-4-8-13/h1-10,15,18H,11-12H2,(H,17,19)/t15-/m1/s1
InChIKey
IWSCPMJLIZGTHY-OAHLLOKOSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.19
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
76.03
TPSA
58.56

LogP / Solubility

WLOGP
2.65
MLOGP
2.34
XLogP3
2.3
Consensus LogP
2.43
Log S (ESOL)
-3.3
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.7
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.22
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.5

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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