CAS RN: 66216-78-2
N-benzyloxycarbonylglycyl-glycyl-arginine-4-methylcoumarinyl-7-amide
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260322 | 10mg / 50mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS66216-78-2
- Purity/Analytical Methods: >99.0%
66216-78-2 / benzyl N-[2-[[2-[[(2S)-5-(diaminomethylideneamino)-2-[(4-methyl-2-oxochromen-7-yl)amino]pentanoyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate
Basic Information
CAS
66216-78-2
Multi CAS
Yes
Molecular Formula
C28H33N7O7
Molecular Weight
579.600000
Exact Mass
579.244146
InChI
InChI=1S/C28H33N7O7/c1-17-12-25(38)42-22-13-19(9-10-20(17)22)34-21(8-5-11-31-27(29)30)26(39)35-24(37)15-32-23(36)14-33-28(40)41-16-18-6-3-2-4-7-18/h2-4,6-7,9-10,12-13,21,34H,5,8,11,14-16H2,1H3,(H,32,36)(H,33,40)(H4,29,30,31)(H,35,37,39)/t21-/m0/s1
InChIKey
YXLGWNWVIGXGME-NRFANRHFSA-N
Computed Properties
Structural Parameters
Heavy atom count
42
Aromatic heavy atom count
16
Fraction Csp3
0.29
Rotatable bonds
13
H-bond acceptors
9
H-bond donors
6
Molar refractivity
155.33
TPSA
220.24
LogP / Solubility
WLOGP
0.62
MLOGP
0.59
XLogP3
0.7
Consensus LogP
0.64
Log S (ESOL)
-3.25
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.76
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.5
Class (SILICOS-IT)
Slightly soluble
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)
-5.81
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
4.5
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