![CAS 1408077-50-8 Phenol, 4-chloro-3-[(4-ethoxyphenyl)methyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1408077-50-8.gif)
CAS RN: 1408077-50-8
Phenol, 4-chloro-3-[(4-ethoxyphenyl)methyl]-
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250706 | 25mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1408077-50-8
- Purity/Analytical Methods: >99.0%
1408077-50-8 / 4-chloro-3-[(4-ethoxyphenyl)methyl]phenol
Basic Information
CAS
1408077-50-8
Multi CAS
No
Molecular Formula
C15H15ClO2
Molecular Weight
262.730000
Exact Mass
262.076057
SMILES
CCOC1=CC=C(C=C1)CC2=C(C=CC(=C2)O)Cl
InChI
InChI=1S/C15H15ClO2/c1-2-18-14-6-3-11(4-7-14)9-12-10-13(17)5-8-15(12)16/h3-8,10,17H,2,9H2,1H3
InChIKey
HCEHZWDDVOFGKQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.2
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
73.53
TPSA
29.46
LogP / Solubility
WLOGP
4.04
MLOGP
3.56
XLogP3
4.5
Consensus LogP
4.03
Log S (ESOL)
-4.24
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.63
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.2
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.46
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
-
![CAS 1408087-64-8 3-(3-fluoro-4-isopropoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
3-(3-fluoro-4-isopropoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
- CAS RN: 1408087-64-8
- Product Code: SSC-051375
-
1-(2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-4-methylpiperazine
- CAS RN: 1408088-34-5
- Product Code: SSC-051377
-
2-Methylbenzo[d]oxazol-6-ylboronic acid pinacol ester
- CAS RN: 1408089-23-5
- Product Code: SSC-051378
-
(S)-3,3-DifluorocyclopentanaMine hydrochloride
- CAS RN: 1408148-48-0
- Product Code: SSC-051379
-
-
![CAS 1408087-64-8 3-(3-fluoro-4-isopropoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1408087-64-8.gif)
![CAS 1408089-23-5 2-Methylbenzo[d]oxazol-6-ylboronic acid pinacol ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1408089-23-5.gif)
