CAS RN: 80895-10-9
PEFACHROME(R) FXA*
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250525 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20260524 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20250421 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20250530 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20260212 | 25mg / 50mg / 100mg | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20260602 | 50mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS80895-10-9
- Purity/Analytical Methods: >99.0%
80895-10-9 / acetic acid;methyl N-[(2R)-3-cyclohexyl-1-[[2-[[(2S)-5-(diaminomethylideneamino)-1-(4-nitroanilino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]carbamate
Basic Information
CAS
80895-10-9
Multi CAS
No
Molecular Formula
C27H42N8O9
Molecular Weight
622.700000
Exact Mass
622.307475
InChI
InChI=1S/C25H38N8O7.C2H4O2/c1-40-25(37)32-20(14-16-6-3-2-4-7-16)22(35)29-15-21(34)31-19(8-5-13-28-24(26)27)23(36)30-17-9-11-18(12-10-17)33(38)39;1-2(3)4/h9-12,16,19-20H,2-8,13-15H2,1H3,(H,29,35)(H,30,36)(H,31,34)(H,32,37)(H4,26,27,28);1H3,(H,3,4)/t19-,20+;/m0./s1
InChIKey
QXWRKXQCMBOLJR-CMXBXVFLSA-N
Computed Properties
Structural Parameters
Heavy atom count
44
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
14
H-bond acceptors
9
H-bond donors
7
Molar refractivity
160.41
TPSA
270.47
LogP / Solubility
WLOGP
0.97
MLOGP
0.91
XLogP3
0.97
Consensus LogP
0.95
Log S (ESOL)
-3.49
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.37
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.2
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.83
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5
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