CAS RN: 892546-37-1
PH-064
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260330 | 5mg / 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS892546-37-1
- Purity/Analytical Methods: >99.0%
892546-37-1 / (2R)-2-amino-3-[[(2R)-2-amino-3-[(8S)-8-(cyclohexylmethyl)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-oxopropyl]disulfanyl]-1-[(8S)-8-(cyclohexylmethyl)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propan-1-one
Basic Information
CAS
892546-37-1
Multi CAS
Yes
Molecular Formula
C44H58N8O2S2
Molecular Weight
795.100000
Exact Mass
794.412415
InChI
InChI=1S/C44H58N8O2S2/c45-35(43(53)51-23-21-49-27-37(33-17-9-3-10-18-33)47-41(49)39(51)25-31-13-5-1-6-14-31)29-55-56-30-36(46)44(54)52-24-22-50-28-38(34-19-11-4-12-20-34)48-42(50)40(52)26-32-15-7-2-8-16-32/h3-4,9-12,17-20,27-28,31-32,35-36,39-40H,1-2,5-8,13-16,21-26,29-30,45-46H2/t35-,36-,39-,40-/m0/s1
InChIKey
GGDNOAWICIHSAW-KEAHXZLPSA-N
Computed Properties
Structural Parameters
Heavy atom count
56
Aromatic heavy atom count
22
Fraction Csp3
0.55
Rotatable bonds
13
H-bond acceptors
10
H-bond donors
2
Molar refractivity
227.48
TPSA
128.3
LogP / Solubility
WLOGP
7.86
MLOGP
6.99
XLogP3
6.4
Consensus LogP
7.08
Log S (ESOL)
-9.15
Class (ESOL)
Insoluble
Log S (Ali)
-11.75
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.91
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
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)
-1.99
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
8.5
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