CAS RN: 194471-87-9
FMOC-3-AMINO-3-(4-CHLOROPHENYL)PROPIONIC ACID
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.20250328 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS194471-87-9
- Purity/Analytical Methods: >99.0%
194471-87-9 / 3-(4-chlorophenyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
Basic Information
CAS
194471-87-9
Multi CAS
No
Molecular Formula
C24H20ClNO4
Molecular Weight
421.900000
Exact Mass
421.108086
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CC(=O)O)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C24H20ClNO4/c25-16-11-9-15(10-12-16)22(13-23(27)28)26-24(29)30-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-12,21-22H,13-14H2,(H,26,29)(H,27,28)
InChIKey
VDMPMJZDURHZTB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
18
Fraction Csp3
0.17
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
114.65
TPSA
75.63
LogP / Solubility
WLOGP
5.39
MLOGP
4.77
XLogP3
4.7
Consensus LogP
4.95
Log S (ESOL)
-5.9
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.91
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.6
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.46
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
Customers Also Viewed
-
7-FLUORO-2-METHYL-3H-QUINAZOLIN-4-ONE
- CAS RN: 194473-03-5
- Product Code: starshine_CAS194473-03-5
- Purity/Analytical method: >99.0%
-
6-FLUORO-2-METHYLQUINAZOLIN-4(3H)-ONE
- CAS RN: 194473-04-6
- Product Code: starshine_CAS194473-04-6
- Purity/Analytical method: >99.0%
-
1-(7-amino-5-fluoro-indolin-1-yl)ethanone
- CAS RN: 194476-43-2
- Product Code: starshine_CAS194476-43-2
- Purity/Analytical method: >99.0%
-
BenzeneMethanol, 4-hydroxy-3-[(1R)-3-[(1-Methylethyl)aMino]-1-phenylpropyl]-
- CAS RN: 194482-42-3
- Product Code: starshine_CAS194482-42-3
- Purity/Analytical method: >99.0%
-
-
![CAS 194482-42-3 BenzeneMethanol, 4-hydroxy-3-[(1R)-3-[(1-Methylethyl)aMino]-1-phenylpropyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/194482-42-3.gif)
