CAS RN: 1612782-86-1
UNC2541
Product Availability
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7 package records3 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260202 | 100mg | Out of stock | Inquiry | |
| Batchno.20251210 | 10mg | Out of stock | Inquiry | |
| Batchno.20250113 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20250423 | 25mg | Out of stock | Inquiry | |
| Batchno.20250621 | 50mg | Out of stock | Inquiry | |
| Batchno.20260322 | 5mg | In stock | Shanghai | Inquiry |
| Batchno.20250724 | 5mg / 25mg / 50mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1612782-86-1
- Purity/Analytical Methods: >99.0%
1612782-86-1 / (7S)-7-amino-N-[(4-fluorophenyl)methyl]-8-oxo-2,9,16,18,21-pentazabicyclo[15.3.1]henicosa-1(21),17,19-triene-20-carboxamide
Basic Information
CAS
1612782-86-1
Multi CAS
No
Molecular Formula
C24H34FN7O2
Molecular Weight
471.600000
Exact Mass
471.275802
SMILES
C1CCCNC2=NC=C(C(=N2)NCCCC[C@@H](C(=O)NCC1)N)C(=O)NCC3=CC=C(C=C3)F
InChI
InChI=1S/C24H34FN7O2/c25-18-10-8-17(9-11-18)15-30-22(33)19-16-31-24-29-14-5-2-1-4-13-28-23(34)20(26)7-3-6-12-27-21(19)32-24/h8-11,16,20H,1-7,12-15,26H2,(H,28,34)(H,30,33)(H2,27,29,31,32)/t20-/m0/s1
InChIKey
ONIHBIZGUJZDHG-FQEVSTJZSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
12
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
7
H-bond donors
5
Molar refractivity
129.89
TPSA
134.06
LogP / Solubility
WLOGP
2.56
MLOGP
2.28
XLogP3
2.4
Consensus LogP
2.41
Log S (ESOL)
-4.44
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.27
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.21
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.78
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6.5
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![CAS 1612891-29-8 Palladium, [1,3-bis[2,6-bis(1-ethylpropyl)phenyl]-4,5-dichloro-1,3-dihydro-2H-imidazol-2-ylidene]dichloro(2-methylpyridine)-, (SP-4-1)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1612891-29-8.gif)
