CAS RN: 163679-36-5
4-BENZOYL-D,L-PHENYLALANINE, HYDROCHLORIDE
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.20251201 | 20mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS163679-36-5
- Purity/Analytical Methods: >99.0%
163679-36-5 / 2-amino-3-(4-benzoylphenyl)propanoic acid;hydrochloride
Basic Information
CAS
163679-36-5
Multi CAS
No
Molecular Formula
C16H16ClNO3
Molecular Weight
305.750000
Exact Mass
305.081871
SMILES
C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)CC(C(=O)O)N.Cl
InChI
InChI=1S/C16H15NO3.ClH/c17-14(16(19)20)10-11-6-8-13(9-7-11)15(18)12-4-2-1-3-5-12;/h1-9,14H,10,17H2,(H,19,20);1H
InChIKey
XVJIYFOSPMCXHG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.12
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
82.88
TPSA
80.39
LogP / Solubility
WLOGP
2.29
MLOGP
2.03
XLogP3
2.29
Consensus LogP
2.2
Log S (ESOL)
-3.27
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.72
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.15
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.96
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
Customers Also Viewed
-
4-CHLOROMETHYL-7-HYDROXY-8-METHYL-CHROMEN-2-ONE
- CAS RN: 163684-50-2
- Product Code: starshine_CAS163684-50-2
- Purity/Analytical method: >99.0%
-
2-Propanol, 1-[2-(2-methoxyethyl)phenoxy]-3-[(1-methylethyl)amino]-
- CAS RN: 163685-38-9
- Product Code: SSC-071082
-
-
CANGRELOR
- CAS RN: 163706-06-7
- Product Code: starshine_CAS163706-06-7
- Purity/Analytical method: >99.0%
-
cangrelor tetrasodium
- CAS RN: 163706-36-3
- Product Code: starshine_CAS163706-36-3
- Purity/Analytical method: >99.0%
-
Phosphonic acid, P,P’-(dichloromethylene)bis-, compd. with N,N-dibutyl-1-butanamine (1:1)
- CAS RN: 163706-61-4
- Product Code: starshine_CAS163706-61-4
- Purity/Analytical method: >99.0%
![CAS 163685-38-9 2-Propanol, 1-[2-(2-methoxyethyl)phenoxy]-3-[(1-methylethyl)amino]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/163685-38-9.gif)
