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CAS 1624260-45-2 6-Chloro-3-Methoxybenzo[b]thiophene-2-carboxylic acid molecular structure lightbox
CAS RN: 1624260-45-2

6-Chloro-3-Methoxybenzo[b]thiophene-2-carboxylic acid

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250414 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1624260-45-2
  • Purity/Analytical Methods: >99.0%
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1624260-45-2 / 6-chloro-3-methoxy-1-benzothiophene-2-carboxylic acid

Standard CAS: 1624260-45-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1624260-45-2
Multi CAS
No
Molecular Formula
C10H7ClO3S
Molecular Weight
242.680000
Exact Mass
241.980443
SMILES
COC1=C(SC2=C1C=CC(=C2)Cl)C(=O)O
InChI
InChI=1S/C10H7ClO3S/c1-14-8-6-3-2-5(11)4-7(6)15-9(8)10(12)13/h2-4H,1H3,(H,12,13)
InChIKey
OZAHJNXWNQEYMF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.1
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
60.35
TPSA
46.53

LogP / Solubility

WLOGP
3.26
MLOGP
2.88
XLogP3
3.4
Consensus LogP
3.18
Log S (ESOL)
-3.71
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.9
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.18
Class (SILICOS-IT)
Slightly 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)
-1.88

Drug-likeness / Medicinal Chemistry

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

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