CAS RN: 65147-21-9
H-PRO-PHE-ARG-AMC ACETATE SALT
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251118 | 25mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS65147-21-9
- Purity/Analytical Methods: >99.0%
65147-21-9 / (2S)-N-[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-2-[(4-methyl-2-oxochromen-7-yl)amino]pentanoyl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide
Basic Information
CAS
65147-21-9
Multi CAS
Yes
Molecular Formula
C30H37N7O5
Molecular Weight
575.700000
Exact Mass
575.285617
InChI
InChI=1S/C30H37N7O5/c1-18-15-26(38)42-25-17-20(11-12-21(18)25)35-23(10-6-14-34-30(31)32)28(40)37-29(41)24(16-19-7-3-2-4-8-19)36-27(39)22-9-5-13-33-22/h2-4,7-8,11-12,15,17,22-24,33,35H,5-6,9-10,13-14,16H2,1H3,(H,36,39)(H4,31,32,34)(H,37,40,41)/t22-,23-,24-/m0/s1
InChIKey
URNKXHHGSVKUKV-HJOGWXRNSA-N
Computed Properties
Structural Parameters
Heavy atom count
42
Aromatic heavy atom count
16
Fraction Csp3
0.37
Rotatable bonds
12
H-bond acceptors
8
H-bond donors
6
Molar refractivity
160.79
TPSA
193.94
LogP / Solubility
WLOGP
1.06
MLOGP
0.98
XLogP3
1.6
Consensus LogP
1.21
Log S (ESOL)
-3.57
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.04
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.72
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.48
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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