CAS RN: 105300-90-1
4-(BOC-4-AMINOPHENYL)-BUTANOIC 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.20250427 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS105300-90-1
- Purity/Analytical Methods: >99.0%
105300-90-1 / 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]butanoic acid
4-(Boc-4-aminophenyl)butanoic acid | 4-(BOC-4-AMINOPHENYL)-BUTANOIC ACID | 4-(4-((tert-Butoxycarbonyl)amino)phenyl)butanoic acid
Basic Information
CAS
105300-90-1
Multi CAS
Yes
Molecular Formula
C15H21NO4
Molecular Weight
279.330000
Exact Mass
279.147058
SMILES
CC(C)(C)OC(=O)NC1=CC=C(C=C1)CCCC(=O)O
InChI
InChI=1S/C15H21NO4/c1-15(2,3)20-14(19)16-12-9-7-11(8-10-12)5-4-6-13(17)18/h7-10H,4-6H2,1-3H3,(H,16,19)(H,17,18)
InChIKey
JVKQXXXBFHIZTQ-UHFFFAOYSA-N
Synonyms
4-(Boc-4-aminophenyl)butanoic acid
4-(BOC-4-AMINOPHENYL)-BUTANOIC ACID
4-(4-((tert-Butoxycarbonyl)amino)phenyl)butanoic acid
MFCD06656431
4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]butanoic Acid
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.47
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
76.87
TPSA
75.63
LogP / Solubility
WLOGP
3.44
MLOGP
3.04
XLogP3
2.6
Consensus LogP
3.03
Log S (ESOL)
-3.63
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.33
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.93
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.98
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
N-[2-(Dieth
- CAS RN: 105314-01-0
- Product Code: starshine_CAS105314-01-0
- Purity/Analytical method: >99.0%
-
-
2,4-Dichloro-5-Methylthiazole
- CAS RN: 105315-39-7
- Product Code: starshine_CAS105315-39-7
- Purity/Analytical method: >99.0%
-
-
Aloeresin D
- CAS RN: 105317-67-7
- Product Code: starshine_CAS105317-67-7
- Purity/Analytical method: >99.0%
-
1-(3-CHLORO-4-METHYL-PHENYL)-ETHYLAMINE
- CAS RN: 105321-42-4
- Product Code: starshine_CAS105321-42-4
- Purity/Analytical method: >99.0%
.gif)
