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CAS 64267-37-4 3-(2-CARBOMETHOXYACETYL)-7-DIETHYLAMINOCOUMARIN (METHYL 7-DIETHYLAMINO-3-COUMAROYLACETATE) molecular structure lightbox
CAS RN: 64267-37-4

3-(2-CARBOMETHOXYACETYL)-7-DIETHYLAMINOCOUMARIN (METHYL 7-DIETHYLAMINO-3-COUMAROYLACETATE)

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260524 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai 5-7 business days Inquiry
  • Product code: starshine_CAS64267-37-4
  • Purity/Analytical Methods: >99.0%
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64267-37-4 / methyl 3-[7-(diethylamino)-2-oxochromen-3-yl]-3-oxopropanoate

Standard CAS: 64267-37-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
64267-37-4
Multi CAS
No
Molecular Formula
C17H19NO5
Molecular Weight
317.340000
Exact Mass
317.126323
InChI
InChI=1S/C17H19NO5/c1-4-18(5-2)12-7-6-11-8-13(14(19)10-16(20)22-3)17(21)23-15(11)9-12/h6-9H,4-5,10H2,1-3H3
InChIKey
NGZOTIQHWZXUDI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
10
Fraction Csp3
0.35
Rotatable bonds
6
H-bond acceptors
6
Molar refractivity
87.01
TPSA
76.82

LogP / Solubility

WLOGP
2.39
MLOGP
2.11
XLogP3
2.7
Consensus LogP
2.4
Log S (ESOL)
-3.24
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.88
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.42
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.96

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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