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CAS 96315-10-5 5-Methyl-bis-(2-aminophenoxymethylene)-N,N,NNtetraacetate Methyl Ester molecular structure lightbox
CAS RN: 96315-10-5

5-Methyl-bis-(2-aminophenoxymethylene)-N,N,NNtetraacetate Methyl Ester

  • Product code: SSC-211963
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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: ≥95%
  • 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 96315-10-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

96315-10-5 / methyl 2-[2-[2-[2-[bis(2-methoxy-2-oxoethyl)amino]phenoxy]ethoxy]-N-(2-methoxy-2-oxoethyl)-4-methylanilino]acetate

Standard CAS: 96315-10-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
96315-10-5
Multi CAS
No
Molecular Formula
C27H34N2O10
Molecular Weight
546.600000
Exact Mass
546.221345
InChI
InChI=1S/C27H34N2O10/c1-19-10-11-21(29(17-26(32)36-4)18-27(33)37-5)23(14-19)39-13-12-38-22-9-7-6-8-20(22)28(15-24(30)34-2)16-25(31)35-3/h6-11,14H,12-13,15-18H2,1-5H3
InChIKey
OWGVQVGXYFWIHF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
39
Aromatic heavy atom count
12
Fraction Csp3
0.41
Rotatable bonds
15
H-bond acceptors
12
Molar refractivity
141.1
TPSA
130.14

LogP / Solubility

WLOGP
1.76
MLOGP
1.59
XLogP3
3.9
Consensus LogP
2.42
Log S (ESOL)
-3.57
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.31
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.47
Class (SILICOS-IT)
Insoluble

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)
-4.81

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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