CAS RN: 1172605-58-1
13-zido-,,1-rioxa–zatridecanoic acid 9H-luoren–lmethyl 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.20260620 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1172605-58-1
- Purity/Analytical Methods: >99.0%
1172605-58-1 / 9H-fluoren-9-ylmethyl N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]carbamate
Fmoc-N-amido-PEG3-azide | FmocNH-PEG3-CH2CH2N3 | 9H-fluoren-9-ylmethyl N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]carbamate
Basic Information
CAS
1172605-58-1
Multi CAS
No
Molecular Formula
C23H28N4O5
Molecular Weight
440.500000
Exact Mass
440.205970
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCCOCCOCCOCCN=[N+]=[N-]
InChI
InChI=1S/C23H28N4O5/c24-27-26-10-12-30-14-16-31-15-13-29-11-9-25-23(28)32-17-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-8,22H,9-17H2,(H,25,28)
InChIKey
DPFYHVJTBNQVPA-UHFFFAOYSA-N
Synonyms
Fmoc-N-amido-PEG3-azide
FmocNH-PEG3-CH2CH2N3
9H-fluoren-9-ylmethyl N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]carbamate
MFCD28964125
13-azido-5,8,11-Trioxa-2-azatridecanoic acid 9H-fluoren-9-ylmethyl ester
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
12
Fraction Csp3
0.43
Rotatable bonds
14
H-bond acceptors
6
H-bond donors
1
Molar refractivity
119.54
TPSA
114.78
LogP / Solubility
WLOGP
3.89
MLOGP
3.45
XLogP3
3.5
Consensus LogP
3.61
Log S (ESOL)
-4.37
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.98
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.43
Class (SILICOS-IT)
Insoluble
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
Yes
Log Kp (skin permeation)
-2.65
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
![CAS 1172614-86-6 cis-3-(2,5-Dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro [4.5]dec-3-en-4-yl β-D-glucopyranoside molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
cis-3-(2,5-Dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro [4.5]dec-3-en-4-yl β-D-glucopyranoside
- CAS RN: 1172614-86-6
- Product Code: starshine_CAS1172614-86-6
- Purity/Analytical method: >99.0%
-
tert-butyl (1-[Methoxy(Methyl)aMino]-1-oxopent-4-yn-2-yl)carbaMate
- CAS RN: 1172623-95-8
- Product Code: SSC-017128
-
tert-butyl 1-(2,5-difluorophenyl)-1-oxopent-4-yn-2-ylcarbaMate
- CAS RN: 1172623-96-9
- Product Code: SSC-017129
-
tert-butyl [(2R,3S)-2-(2,5-difluorophenyl)-3,4-dihydro-2H-pyran-3-yl]carbaMate
- CAS RN: 1172623-98-1
- Product Code: SSC-017130
-
tert-butyl [(2R,3S)-2-(2,5-difluorophenyl)-5-hydroxytetrahydro-2H-pyran-3-yl]carbaMate
- CAS RN: 1172623-99-2
- Product Code: SSC-017131
-
4,5,6,7-Tetrahydro-N-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl]-4-phenyl-2-benzothiazolamine
- CAS RN: 1172637-87-4
- Product Code: starshine_CAS1172637-87-4
- Purity/Analytical method: >99.0%
![CAS 1172614-86-6 cis-3-(2,5-Dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro [4.5]dec-3-en-4-yl β-D-glucopyranoside molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1172614-86-6.gif)
![CAS 1172623-95-8 tert-butyl (1-[Methoxy(Methyl)aMino]-1-oxopent-4-yn-2-yl)carbaMate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1172623-95-8.gif)
![CAS 1172623-98-1 tert-butyl [(2R,3S)-2-(2,5-difluorophenyl)-3,4-dihydro-2H-pyran-3-yl]carbaMate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1172623-98-1.gif)
![CAS 1172623-99-2 tert-butyl [(2R,3S)-2-(2,5-difluorophenyl)-5-hydroxytetrahydro-2H-pyran-3-yl]carbaMate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1172623-99-2.gif)
![CAS 1172637-87-4 4,5,6,7-Tetrahydro-N-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl]-4-phenyl-2-benzothiazolamine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1172637-87-4.gif)