CAS RN: 114865-17-7
N-Fmoc-4-hydroxybenzeneethanamine
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.20250403 | 250mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS114865-17-7
- Purity/Analytical Methods: >99.0%
114865-17-7 / 9H-fluoren-9-ylmethyl N-[2-(4-hydroxyphenyl)ethyl]carbamate
N-Fmoc-4-hydroxybenzeneethanamine | MFCD31654451 | (9H-fluoren-9-yl)methyl N-[2-(4-hydroxyphenyl)ethyl]carbamate
Basic Information
CAS
114865-17-7
Multi CAS
No
Molecular Formula
C23H21NO3
Molecular Weight
359.400000
Exact Mass
359.152144
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCCC4=CC=C(C=C4)O
InChI
InChI=1S/C23H21NO3/c25-17-11-9-16(10-12-17)13-14-24-23(26)27-15-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-12,22,25H,13-15H2,(H,24,26)
InChIKey
VKBOVEWAQAWKAS-UHFFFAOYSA-N
Synonyms
N-Fmoc-4-hydroxybenzeneethanamine
MFCD31654451
(9H-fluoren-9-yl)methyl N-[2-(4-hydroxyphenyl)ethyl]carbamate
9H-fluoren-9-ylmethyl N-[2-(4-hydroxyphenyl)ethyl]carbamate
H81183
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
18
Fraction Csp3
0.17
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
104.88
TPSA
58.56
LogP / Solubility
WLOGP
4.47
MLOGP
3.96
XLogP3
4.7
Consensus LogP
4.38
Log S (ESOL)
-5.05
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.74
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.31
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)
-1.74
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
Customers Also Viewed
-
![CAS 114869-95-3 a-D-Glucopyranoside, methyl 2-deoxy-2-[[(phenylmethoxy)carbonyl]amino]-3-O-(phenylmethyl)-, 6-acetate molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
a-D-Glucopyranoside, methyl 2-deoxy-2-[[(phenylmethoxy)carbonyl]amino]-3-O-(phenylmethyl)-, 6-acetate
- CAS RN: 114869-95-3
- Product Code: starshine_CAS114869-95-3
- Purity/Analytical method: >99.0%
-
-
-
-
-
![CAS 114869-95-3 a-D-Glucopyranoside, methyl 2-deoxy-2-[[(phenylmethoxy)carbonyl]amino]-3-O-(phenylmethyl)-, 6-acetate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/114869-95-3.gif)
