CAS RN: 149697-16-5
Z-ALA-ALA-ASN-AMC
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250324 | 1mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS149697-16-5
- Purity/Analytical Methods: >99.0%
149697-16-5 / benzyl N-[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[(4-methyl-2-oxochromen-7-yl)amino]-1,4-dioxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamate
Basic Information
CAS
149697-16-5
Multi CAS
No
Molecular Formula
C28H31N5O8
Molecular Weight
565.600000
Exact Mass
565.217263
SMILES
CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C28H31N5O8/c1-15-11-24(35)41-22-12-19(9-10-20(15)22)32-27(38)21(13-23(29)34)33-26(37)16(2)30-25(36)17(3)31-28(39)40-14-18-7-5-4-6-8-18/h4-12,16-17,21H,13-14H2,1-3H3,(H2,29,34)(H,30,36)(H,31,39)(H,32,38)(H,33,37)/t16-,17-,21-/m0/s1
InChIKey
WVJTXYIHBUISHX-FIKGOQFSSA-N
Computed Properties
Structural Parameters
Heavy atom count
41
Aromatic heavy atom count
16
Fraction Csp3
0.29
Rotatable bonds
11
H-bond acceptors
8
H-bond donors
5
Molar refractivity
148.42
TPSA
198.93
LogP / Solubility
WLOGP
1.22
MLOGP
1.12
XLogP3
0.6
Consensus LogP
0.98
Log S (ESOL)
-3.68
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.08
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.67
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)
-5.3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5
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