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CAS 103-40-2 SUCCINIC ACID MONOBENZYL ESTER molecular structure lightbox
CAS RN: 103-40-2

SUCCINIC ACID MONOBENZYL ESTER

  • Product code: SSC-004397
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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, 5g, 10g, 25g, 100g, 500g
  • 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 103-40-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 5 In Stock Shenzhen Inquiry
5g >97% 5 In Stock Shanghai Inquiry
10g >97% 5 In Stock Shanghai Inquiry
25g >97% 4 In Stock Hong Kong Inquiry
100g >97% 2 In Stock Shenzhen Inquiry
500g >97% 0 Out of Stock Hong Kong Inquiry

103-40-2 / 4-oxo-4-phenylmethoxybutanoic acid

R1X1431M4O | DTXSID20145609 | RefChem:819268

Standard CAS: 103-40-2 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
103-40-2
Multi CAS
Yes
Molecular Formula
C11H12O4
Molecular Weight
208.210000
Exact Mass
208.073559
SMILES
C1=CC=C(C=C1)COC(=O)CCC(=O)O
InChI
InChI=1S/C11H12O4/c12-10(13)6-7-11(14)15-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,13)
InChIKey
UGUBQKZSNQWWEV-UHFFFAOYSA-N
Synonyms
R1X1431M4O DTXSID20145609 RefChem:819268 1-(Phenylmethyl) butanedioate DTXCID5068100

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
53.11
TPSA
63.6

LogP / Solubility

WLOGP
1.59
MLOGP
1.4
XLogP3
1.4
Consensus LogP
1.46
Log S (ESOL)
-2.1
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.42
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.94
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.86

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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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