CAS RN: 863975-32-0
BZ-NLE-LYS-ARG-ARG-AMC
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251102 | 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS863975-32-0
- Purity/Analytical Methods: >99.0%
863975-32-0 / N-[(2S)-1-[[(2S)-6-amino-1-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-5-(diaminomethylideneamino)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]benzamide
Basic Information
CAS
863975-32-0
Multi CAS
Yes
Molecular Formula
C41H60N12O7
Molecular Weight
833.000000
Exact Mass
832.470792
InChI
InChI=1S/C41H60N12O7/c1-3-4-14-29(50-35(55)26-12-6-5-7-13-26)37(57)51-30(15-8-9-20-42)38(58)53-32(17-11-22-48-41(45)46)39(59)52-31(16-10-21-47-40(43)44)36(56)49-27-18-19-28-25(2)23-34(54)60-33(28)24-27/h5-7,12-13,18-19,23-24,29-32H,3-4,8-11,14-17,20-22,42H2,1-2H3,(H,49,56)(H,50,55)(H,51,57)(H,52,59)(H,53,58)(H4,43,44,47)(H4,45,46,48)/t29-,30-,31-,32-/m0/s1
InChIKey
OLWZMHHMCMSOQU-YDPTYEFTSA-N
Computed Properties
Structural Parameters
Heavy atom count
60
Aromatic heavy atom count
16
Fraction Csp3
0.46
Rotatable bonds
25
H-bond acceptors
10
H-bond donors
10
Molar refractivity
231.59
TPSA
330.53
LogP / Solubility
WLOGP
0.72
MLOGP
0.71
XLogP3
0.4
Consensus LogP
0.61
Log S (ESOL)
-4.01
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.91
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.67
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)
-7.29
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
6
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