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CAS 314725-14-9 Methyl 4-Hydroxy-1-benzothiophene-6-carboxylate molecular structure lightbox
CAS RN: 314725-14-9

Methyl 4-Hydroxy-1-benzothiophene-6-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250708 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-136863
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 8
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 314725-14-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 1 In Stock Beijing Inquiry
0.1g >95% 1 In Stock Shanghai Inquiry
0.25g -- 1 In Stock Hong Kong Inquiry
0.25g >95% 1 In Stock Shanghai Inquiry
1g -- 1 In Stock Hong Kong Inquiry
1g >95% 1 In Stock Beijing Inquiry
5g -- 1 In Stock Hong Kong Inquiry
5g >95% 1 In Stock Hong Kong Inquiry

314725-14-9 / methyl 4-hydroxy-1-benzothiophene-6-carboxylate

Standard CAS: 314725-14-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
314725-14-9
Multi CAS
No
Molecular Formula
C10H8O3S
Molecular Weight
208.240000
Exact Mass
208.019415
InChI
InChI=1S/C10H8O3S/c1-13-10(12)6-4-8(11)7-2-3-14-9(7)5-6/h2-5,11H,1H3
InChIKey
IRAYMNSJGYCOHV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
54.83
TPSA
46.53

LogP / Solubility

WLOGP
2.39
MLOGP
2.11
XLogP3
2.4
Consensus LogP
2.3
Log S (ESOL)
-3.05
Class (ESOL)
Poorly soluble
Log S (Ali)
-3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.12
Class (SILICOS-IT)
Poorly 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)
-2.29

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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