CAS RN: 156755-24-7
Benzenepropanoic acid, 5-bromo-.beta.-phenyl-2-(phenylmethoxy)-, methyl ester
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.20251031 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS156755-24-7
- Purity/Analytical Methods: >99.0%
156755-24-7 / methyl 3-(5-bromo-2-phenylmethoxyphenyl)-3-phenylpropanoate
Basic Information
CAS
156755-24-7
Multi CAS
No
Molecular Formula
C23H21BrO3
Molecular Weight
425.300000
Exact Mass
424.067410
SMILES
COC(=O)CC(C1=CC=CC=C1)C2=C(C=CC(=C2)Br)OCC3=CC=CC=C3
InChI
InChI=1S/C23H21BrO3/c1-26-23(25)15-20(18-10-6-3-7-11-18)21-14-19(24)12-13-22(21)27-16-17-8-4-2-5-9-17/h2-14,20H,15-16H2,1H3
InChIKey
SXFFQILYKHDSIZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
18
Fraction Csp3
0.17
Rotatable bonds
7
H-bond acceptors
3
Molar refractivity
109.83
TPSA
35.53
LogP / Solubility
WLOGP
5.72
MLOGP
5.06
XLogP3
5.6
Consensus LogP
5.46
Log S (ESOL)
-6.11
Class (ESOL)
Insoluble
Log S (Ali)
-7.18
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.01
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.25
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
Customers Also Viewed
-
5-Bromo-gamma-phenyl-2-(phenylmethoxy)benzenepropanol
- CAS RN: 156755-25-8
- Product Code: starshine_CAS156755-25-8
- Purity/Analytical method: >99.0%
-
Benzoic acid, 3-[(1R)-3-[bis(1-methylethyl)amino]-1-phenylpropyl]-4-(phenylmethoxy)-, hydrochloride
- CAS RN: 156755-33-8
- Product Code: starshine_CAS156755-33-8
- Purity/Analytical method: >99.0%
-
3-[(1R)-3-[Bis(1-methylethyl)amino]-1-phenylpropyl]-4-(phenylmethoxy)benzoic acid methyl ester
- CAS RN: 156755-35-0
- Product Code: starshine_CAS156755-35-0
- Purity/Analytical method: >99.0%
-
BenzeneMethanol, 3-[(1R)-3-[bis(1-Methylethyl)aMino]-1-phenylpropyl]-4-(phenylMethoxy)-
- CAS RN: 156755-37-2
- Product Code: SSC-065876
-
-
Hosenkoside B
- CAS RN: 156764-82-8
- Product Code: starshine_CAS156764-82-8
- Purity/Analytical method: >99.0%
![CAS 156755-33-8 Benzoic acid, 3-[(1R)-3-[bis(1-methylethyl)amino]-1-phenylpropyl]-4-(phenylmethoxy)-, hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/156755-33-8.gif)
![CAS 156755-35-0 3-[(1R)-3-[Bis(1-methylethyl)amino]-1-phenylpropyl]-4-(phenylmethoxy)benzoic acid methyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/156755-35-0.gif)
![CAS 156755-37-2 BenzeneMethanol, 3-[(1R)-3-[bis(1-Methylethyl)aMino]-1-phenylpropyl]-4-(phenylMethoxy)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/156755-37-2.gif)
