![CAS 1034305-23-1 Methyl 1-C-[3-(benzo[b]thien-2-ylMethyl)-4-fluorophenyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1034305-23-1.gif)
CAS RN: 1034305-23-1
Methyl 1-C-[3-(benzo[b]thien-2-ylMethyl)-4-fluorophenyl]-
Product Availability
Choose a grade to view its available package options.
7 package records6 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250510 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250126 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20260426 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20260427 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20260501 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20250225 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20260611 | 50mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1034305-23-1
- Purity/Analytical Methods: >99.0%
1034305-23-1 / (2S,3R,4S,5S,6R)-2-[3-(1-benzothiophen-2-ylmethyl)-4-fluorophenyl]-6-(hydroxymethyl)-2-methoxyoxane-3,4,5-triol
Methyl 1-C-[3-(benzo[b]thien-2-ylmethyl)-4-fluorophenyl]-alpha-D-glucopyranoside | Methyl 1-C-(3-(benzo(b)thien-2-ylmethyl)-4-fluorophenyl)-alpha-D-glucopyranoside | RefChem:353327
Basic Information
CAS
1034305-23-1
Multi CAS
Yes
Molecular Formula
C22H23FO6S
Molecular Weight
434.500000
Exact Mass
434.119938
SMILES
CO[C@@]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C2=CC(=C(C=C2)F)CC3=CC4=CC=CC=C4S3
InChI
InChI=1S/C22H23FO6S/c1-28-22(21(27)20(26)19(25)17(11-24)29-22)14-6-7-16(23)13(8-14)10-15-9-12-4-2-3-5-18(12)30-15/h2-9,17,19-21,24-27H,10-11H2,1H3/t17-,19-,20+,21-,22+/m1/s1
InChIKey
JBFQHCJIYXXZRZ-VOFPXKNKSA-N
Synonyms
Methyl 1-C-[3-(benzo[b]thien-2-ylmethyl)-4-fluorophenyl]-alpha-D-glucopyranoside
Methyl 1-C-(3-(benzo(b)thien-2-ylmethyl)-4-fluorophenyl)-alpha-D-glucopyranoside
RefChem:353327
(2S,3R,4S,5S,6R)-2-(3-(benzo[b]thiophen-2-ylmethyl)-4-fluorophenyl)-6-(hydroxymethyl)-2-methoxytetrahydro-2H-pyran-3,4,5-triol
Methyl 1-C-[3-(benzo[b]thien-2-ylMethyl)-4-fluorophenyl]-
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
15
Fraction Csp3
0.36
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
4
Molar refractivity
109.7
TPSA
99.38
LogP / Solubility
WLOGP
1.9
MLOGP
1.7
XLogP3
2.3
Consensus LogP
1.97
Log S (ESOL)
-3.77
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.5
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.66
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.02
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5.5
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