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CAS 62252-26-0 7-Amino-4-chloro-3-methoxyisocoumarin molecular structure lightbox
CAS RN: 62252-26-0

7-Amino-4-chloro-3-methoxyisocoumarin

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4 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250202 25mg Out of stock 15 business days Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260508 10mg In stock Inquiry
Batchno.20250216 50mg In stock Inquiry
Batchno.20250904 5mg Out of stock Inquiry
  • Product code: LINA929678
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62252-26-0 / 7-amino-4-chloro-3-methoxyisochromen-1-one

Standard CAS: 62252-26-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
62252-26-0
Multi CAS
Yes
Molecular Formula
C10H8CLNO3
Molecular Weight
225.630000
Exact Mass
225.019271
InChI
InChI=1S/C10H8ClNO3/c1-14-10-8(11)6-3-2-5(12)4-7(6)9(13)15-10/h2-4H,12H2,1H3
InChIKey
AMDGKLWVCUXONP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
58.46
TPSA
65.46

LogP / Solubility

WLOGP
2.04
MLOGP
1.8
XLogP3
1.8
Consensus LogP
1.88
Log S (ESOL)
-2.95
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.88
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.94
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.65

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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