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CAS 200133-16-0 3-[2-Benzyloxycarbonylamino-3-(2-carboxy-ethoxy)-2-(2-carboxy-ethoxymethyl)-propoxy]-propionic molecular structure lightbox
CAS RN: 200133-16-0

3-[2-Benzyloxycarbonylamino-3-(2-carboxy-ethoxy)-2-(2-carboxy-ethoxymethyl)-propoxy]-propionic

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250223 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-094203
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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: 0.1g, 0.25g, 1g, 10g, 5g, 25g
  • Available purity: >95%
  • Inventory rows with stock: 6
  • 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 200133-16-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 2 In Stock Shanghai Inquiry
0.25g >95% 2 In Stock Shenzhen Inquiry
1g >95% 2 In Stock Shanghai Inquiry
10g >95% 2 In Stock Shenzhen Inquiry
5g >95% 1 In Stock Shenzhen Inquiry
25g >95% 1 In Stock Beijing Inquiry

200133-16-0 / 3-[3-(2-carboxyethoxy)-2-(2-carboxyethoxymethyl)-2-(phenylmethoxycarbonylamino)propoxy]propanoic acid

Standard CAS: 200133-16-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
200133-16-0
Multi CAS
No
Molecular Formula
C21H29NO11
Molecular Weight
471.500000
Exact Mass
471.174061
SMILES
C1=CC=C(C=C1)COC(=O)NC(COCCC(=O)O)(COCCC(=O)O)COCCC(=O)O
InChI
InChI=1S/C21H29NO11/c23-17(24)6-9-30-13-21(14-31-10-7-18(25)26,15-32-11-8-19(27)28)22-20(29)33-12-16-4-2-1-3-5-16/h1-5H,6-15H2,(H,22,29)(H,23,24)(H,25,26)(H,27,28)
InChIKey
NQLURFNELQYXEY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
6
Fraction Csp3
0.52
Rotatable bonds
18
H-bond acceptors
8
H-bond donors
4
Molar refractivity
111.71
TPSA
177.92

LogP / Solubility

WLOGP
1.13
MLOGP
1.02
XLogP3
-0.6
Consensus LogP
0.52
Log S (ESOL)
-2.42
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.24
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.82
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.8

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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