CAS RN: 1193525-42-6
2-(4-Methoxy-3-Methylphenyl)-5-(3-Methoxyphenyl)thiophene
Product Availability
Choose a grade to view its available package options.
3 package records0 with current stock1 grade group
- Product code: starshine_CAS1193525-42-6
- Purity/Analytical Methods: >99.0%
1193525-42-6 / 2-(4-methoxy-3-methylphenyl)-5-(3-methoxyphenyl)thiophene
2-(4-methoxy-3-methylphenyl)-5-(3-methoxyphenyl)thiophene | Thiophene, 2-(4-methoxy-3-methylphenyl)-5-(3-methoxyphenyl)- | MFCD24842554
Basic Information
CAS
1193525-42-6
Multi CAS
No
Molecular Formula
C19H18O2S
Molecular Weight
310.400000
Exact Mass
310.102751
SMILES
CC1=C(C=CC(=C1)C2=CC=C(S2)C3=CC(=CC=C3)OC)OC
InChI
InChI=1S/C19H18O2S/c1-13-11-15(7-8-17(13)21-3)19-10-9-18(22-19)14-5-4-6-16(12-14)20-2/h4-12H,1-3H3
InChIKey
JLZQUHZSYFHTOL-UHFFFAOYSA-N
Synonyms
2-(4-methoxy-3-methylphenyl)-5-(3-methoxyphenyl)thiophene
Thiophene, 2-(4-methoxy-3-methylphenyl)-5-(3-methoxyphenyl)-
MFCD24842554
C19H18O2S
AKOS024463873
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
17
Fraction Csp3
0.16
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
93.03
TPSA
18.46
LogP / Solubility
WLOGP
5.41
MLOGP
4.77
XLogP3
5.2
Consensus LogP
5.13
Log S (ESOL)
-5.48
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.01
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.65
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.77
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
-
R-5,5′,6,6′,7,7′,8,8′-Octahydro-1,1′-bi-2-naphthyl phosphate
- CAS RN: 1193697-61-8
- Product Code: SSC-019919
-
methyl 5-methoxy-3H-benzo[d]imidazole-4-carboxylate
- CAS RN: 1193789-02-4
- Product Code: SSC-019926
-
(2S)-1-Boc-4,4-difluoro-2-methylpyrrolidine-2-carboxylic acid
- CAS RN: 1194032-23-9
- Product Code: SSC-019952
-
LY2811376
- CAS RN: 1194044-20-6
- Product Code: starshine_CAS1194044-20-6
- Purity/Analytical method: >99.0%
-
1,5-Cyclooctadiene{(4S)-(+)-2-[(5S)-6-(diphenylphosphino)spiro[4.4]nona-1.6-dien-1-yl]-4,5-dihydro-4-benzyloxazole}iridiuM(I) tetrakis[3,5-bis(trifluoroMethyl)phenyl]borate
- CAS RN: 1194050-19-5
- Product Code: starshine_CAS1194050-19-5
- Purity/Analytical method: >99.0%
![CAS 1193789-02-4 methyl 5-methoxy-3H-benzo[d]imidazole-4-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1193789-02-4.gif)
![CAS 1194050-19-5 1,5-Cyclooctadiene{(4S)-(+)-2-[(5S)-6-(diphenylphosphino)spiro[4.4]nona-1.6-dien-1-yl]-4,5-dihydro-4-benzyloxazole}iridiuM(I) tetrakis[3,5-bis(trifluoroMethyl)phenyl]borate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1194050-19-5.gif)