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CAS 605-54-9 BIS(2-ETHOXYETHYL)PHTHALATE molecular structure lightbox
CAS RN: 605-54-9

BIS(2-ETHOXYETHYL)PHTHALATE

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260606 5ml In stock Shanghai, Shandong Inquiry
  • Product code: starshine_CAS605-54-9
  • Purity/Analytical Methods: >99.0%
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605-54-9 / bis(2-ethoxyethyl) benzene-1,2-dicarboxylate

Standard CAS: 605-54-9 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
605-54-9
Multi CAS
Yes
Molecular Formula
C16H22O6
Molecular Weight
310.340000
Exact Mass
310.141638
InChI
InChI=1S/C16H22O6/c1-3-19-9-11-21-15(17)13-7-5-6-8-14(13)16(18)22-12-10-20-4-2/h5-8H,3-4,9-12H2,1-2H3
InChIKey
RMKYMNRQXYPJHL-UHFFFAOYSA-N

Physical Properties

Physical Description
Melting point = 34 deg C; [ChemIDplus]

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
10
H-bond acceptors
6
Molar refractivity
79.99
TPSA
71.06

LogP / Solubility

WLOGP
2.07
MLOGP
1.84
XLogP3
2.2
Consensus LogP
2.04
Log S (ESOL)
-2.61
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.6
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.6
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.14

Drug-likeness / Medicinal Chemistry

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

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