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CAS 1676-81-9 N-Benzyloxycarbonyl-L-serine Methyl Ester molecular structure lightbox
CAS RN: 1676-81-9

N-Benzyloxycarbonyl-L-serine Methyl Ester

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260128 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-073107
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 10g, 25g, 5g, 100g, 500g, 1000g
  • Available purity: ≥97%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1676-81-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 5 In Stock Shanghai Inquiry
10g ≥97% 4 In Stock Shenzhen Inquiry
25g ≥97% 3 In Stock Shenzhen Inquiry
5g ≥97% 1 In Stock Beijing Inquiry
100g ≥97% 1 In Stock Shanghai Inquiry
500g ≥97% 0 Out of Stock Shenzhen Inquiry
1000g ≥97% 0 Out of Stock Hong Kong Inquiry

1676-81-9 / methyl (2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoate

Standard CAS: 1676-81-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1676-81-9
Multi CAS
No
Molecular Formula
C12H15NO5
Molecular Weight
253.250000
Exact Mass
253.095023
SMILES
COC(=O)[C@H](CO)NC(=O)OCC1=CC=CC=C1
InChI
InChI=1S/C12H15NO5/c1-17-11(15)10(7-14)13-12(16)18-8-9-5-3-2-4-6-9/h2-6,10,14H,7-8H2,1H3,(H,13,16)/t10-/m0/s1
InChIKey
CINAUOAOVQPWIB-JTQLQIEISA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
2
Molar refractivity
62.65
TPSA
84.86

LogP / Solubility

WLOGP
0.45
MLOGP
0.4
XLogP3
0.7
Consensus LogP
0.52
Log S (ESOL)
-1.61
Class (ESOL)
Soluble
Log S (Ali)
-1.96
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.28
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.95

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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