![CAS 2044704-59-6 (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[(4-methoxyphenyl)methylselanyl]butanoic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2044704-59-6.png)
CAS RN: 2044704-59-6
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[(4-methoxyphenyl)methylselanyl]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.20250725 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2044704-59-6
- Purity/Analytical Methods: >99.0%
2044704-59-6 / (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[(4-methoxyphenyl)methylselanyl]butanoic acid
Basic Information
CAS
2044704-59-6
Multi CAS
No
Molecular Formula
C27H27NO5Se
Molecular Weight
524.500000
Exact Mass
525.105440
SMILES
COC1=CC=C(C=C1)C[Se]CC[C@@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C27H27NO5Se/c1-32-19-12-10-18(11-13-19)17-34-15-14-25(26(29)30)28-27(31)33-16-24-22-8-4-2-6-20(22)21-7-3-5-9-23(21)24/h2-13,24-25H,14-17H2,1H3,(H,28,31)(H,29,30)/t25-/m0/s1
InChIKey
LVPVPBVHOQUKQZ-VWLOTQADSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
18
Fraction Csp3
0.26
Rotatable bonds
10
H-bond acceptors
4
H-bond donors
2
Molar refractivity
131.5
TPSA
84.86
LogP / Solubility
WLOGP
4.7
MLOGP
4.17
XLogP3
4.7
Consensus LogP
4.52
Log S (ESOL)
-5.78
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.25
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.17
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.58
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
Customers Also Viewed
-
N-((4-(4-Bromophenoxy)phenyl)sulfonyl)hexanamide
- CAS RN: 2044704-70-1
- Product Code: starshine_CAS2044704-70-1
- Purity/Analytical method: >99.0%
-
Methyl 5-amino-1H-benzo[d]imidazole-2-carboxylate hydrochloride
- CAS RN: 2044704-79-0
- Product Code: SSC-096203
-
4-Bromo-1-(tetrahydro-2H-pyran-2-yl)-5-(trifluoromethyl)-1H-indazole
- CAS RN: 2044704-81-4
- Product Code: SSC-096204
-
tert-butyl 4-{[(tert-butoxy)carbonyl]amino}piperidine-4-carboxylate
- CAS RN: 2044704-95-0
- Product Code: SSC-096205
-
5-methoxy-2-(methylsulfonyl)benzonitrile
- CAS RN: 2044705-00-0
- Product Code: starshine_CAS2044705-00-0
- Purity/Analytical method: >99.0%
-
2-(Difluoromethyl)-5-fluoropyridin-4-amine hydrochloride
- CAS RN: 2044705-13-5
- Product Code: SSC-096206
![CAS 2044704-79-0 Methyl 5-amino-1H-benzo[d]imidazole-2-carboxylate hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2044704-79-0.png)
![CAS 2044704-95-0 tert-butyl 4-{[(tert-butoxy)carbonyl]amino}piperidine-4-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2044704-95-0.png)
