CAS RN: 156161-89-6
BQ-788
Product Availability
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10 package records6 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250319 | 1mg / 5mg | Out of stock | 5-7 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250516 | 100mg | Out of stock | Inquiry | ||
| Batchno.20250908 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20260505 | 1mg | In stock | Shanghai | Inquiry | |
| Batchno.20260227 | 25mg | Out of stock | Inquiry | ||
| Batchno.20250928 | 50mg | Out of stock | Inquiry | ||
| Batchno.20251117 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS156161-89-6
- Purity/Analytical Methods: >99.0%
156161-89-6 / sodium (2R)-2-[[(2R)-2-[[(2S)-2-[[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]amino]-4,4-dimethylpentanoyl]amino]-3-(1-methoxycarbonylindol-3-yl)propanoyl]amino]hexanoate
Basic Information
CAS
156161-89-6
Multi CAS
No
Molecular Formula
C34H50N5NaO7
Molecular Weight
663.800000
Exact Mass
663.360793
SMILES
CCCC[C@H](C(=O)[O-])NC(=O)[C@@H](CC1=CN(C2=CC=CC=C21)C(=O)OC)NC(=O)[C@H](CC(C)(C)C)NC(=O)N3[C@@H](CCC[C@@H]3C)C.[Na+]
InChI
InChI=1S/C34H51N5O7.Na/c1-8-9-16-25(31(42)43)35-29(40)26(18-23-20-38(33(45)46-7)28-17-11-10-15-24(23)28)36-30(41)27(19-34(4,5)6)37-32(44)39-21(2)13-12-14-22(39)3;/h10-11,15,17,20-22,25-27H,8-9,12-14,16,18-19H2,1-7H3,(H,35,40)(H,36,41)(H,37,44)(H,42,43);/q;+1/p-1/t21-,22+,25-,26-,27+;/m1./s1
InChIKey
QCVIFBRTTLMEOV-FUKQNADPSA-M
Computed Properties
Structural Parameters
Heavy atom count
47
Aromatic heavy atom count
9
Fraction Csp3
0.62
Rotatable bonds
12
H-bond acceptors
8
H-bond donors
3
Molar refractivity
172.84
TPSA
161.9
LogP / Solubility
WLOGP
0.49
MLOGP
0.49
XLogP3
0.49
Consensus LogP
0.49
Log S (ESOL)
-3.61
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.36
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.82
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)
-6.42
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6.5
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