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CAS 65717-97-7 N-(2,6-DIISOPROPYLPHENYL-CARBAMOYLMETHYL)IMINODIACETIC ACID molecular structure lightbox
CAS RN: 65717-97-7

N-(2,6-DIISOPROPYLPHENYL-CARBAMOYLMETHYL)IMINODIACETIC ACID

  • Product code: SSC-175358
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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, 5g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • 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 65717-97-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Shenzhen Inquiry
0.25g >95% 1 In Stock Beijing Inquiry
1g >95% 1 In Stock Beijing Inquiry
5g >95% 1 In Stock Hong Kong Inquiry

65717-97-7 / 2-[carboxymethyl-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]amino]acetic acid

Standard CAS: 65717-97-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
65717-97-7
Multi CAS
No
Molecular Formula
C18H26N2O5
Molecular Weight
350.400000
Exact Mass
350.184172
InChI
InChI=1S/C18H26N2O5/c1-11(2)13-6-5-7-14(12(3)4)18(13)19-15(21)8-20(9-16(22)23)10-17(24)25/h5-7,11-12H,8-10H2,1-4H3,(H,19,21)(H,22,23)(H,24,25)
InChIKey
UDUSOMRJOPCWHT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
9
H-bond acceptors
4
H-bond donors
3
Molar refractivity
94.96
TPSA
106.94

LogP / Solubility

WLOGP
2.34
MLOGP
2.08
XLogP3
-0.6
Consensus LogP
1.27
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.13
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.96
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.19

Drug-likeness / Medicinal Chemistry

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

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