[email protected]
CAS 104795-85-9 Methyl 6-chlorobenzo[b]thiophene-2-carboxylate molecular structure lightbox
CAS RN: 104795-85-9

Methyl 6-chlorobenzo[b]thiophene-2-carboxylate

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260316 250mg / 1g / 5g / 10g / 25g Out of stock 5-7 business days Inquiry
  • Product code: SSC-006532
GET A QUOTE
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, 10g, 25g
  • Available purity: >97%
  • Inventory rows with stock: 8
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 104795-85-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 1 In Stock Shanghai Inquiry
0.1g >97% 1 In Stock Hong Kong Inquiry
0.25g -- 1 In Stock Shanghai Inquiry
0.25g >97% 1 In Stock Hong Kong Inquiry
1g -- 1 In Stock Beijing Inquiry
1g >97% 1 In Stock Shenzhen Inquiry
5g -- 1 In Stock Beijing Inquiry
5g >97% 1 In Stock Shanghai Inquiry
10g -- 0 Out of Stock Shanghai Inquiry
10g >97% 0 Out of Stock Hong Kong Inquiry
25g -- 0 Out of Stock Shenzhen Inquiry
25g >97% 0 Out of Stock Shanghai Inquiry

104795-85-9 / methyl 6-chloro-1-benzothiophene-2-carboxylate

Methyl 6-chlorobenzo[b]thiophene-2-carboxylate | Methyl 6-chloro-1-benzothiophene-2-carboxylate | MFCD09027103

Standard CAS: 104795-85-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
104795-85-9
Multi CAS
No
Molecular Formula
C10H7ClO2S
Molecular Weight
226.680000
Exact Mass
225.985528
SMILES
COC(=O)C1=CC2=C(S1)C=C(C=C2)Cl
InChI
InChI=1S/C10H7ClO2S/c1-13-10(12)9-4-6-2-3-7(11)5-8(6)14-9/h2-5H,1H3
InChIKey
YKNFICOVOXVEIN-UHFFFAOYSA-N
Synonyms
Methyl 6-chlorobenzo[b]thiophene-2-carboxylate Methyl 6-chloro-1-benzothiophene-2-carboxylate MFCD09027103 Methyl 6-Chlorobenzothiophene-2-carboxylate SCHEMBL1397715

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
58.17
TPSA
26.3

LogP / Solubility

WLOGP
3.34
MLOGP
2.94
XLogP3
3.8
Consensus LogP
3.36
Log S (ESOL)
-3.76
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.83
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.03
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)
-1.73

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us