CAS RN: 136553-81-6
BQ-123 SODIUM SALT
Product Availability
Choose a grade to view its available package options.
12 package records10 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250131 | 1mg / 5mg / 10mg / 25mg | Confirm by inquiry | Shanghai, Shandong | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260223 | 100mg | In stock | Inquiry | |
| Batchno.20250531 | 10mg | In stock | Inquiry | |
| Batchno.20250123 | 1mg | Out of stock | Inquiry | |
| Batchno.20251123 | 25mg | In stock | Inquiry | |
| Batchno.20251221 | 500μg | In stock | Inquiry | |
| Batchno.20250320 | 50mg | Out of stock | Inquiry | |
| Batchno.20250927 | 5mg | In stock | Inquiry |
- Product code: starshine_CAS136553-81-6
- Purity/Analytical Methods: >99.0%
136553-81-6 / 2-[(3R,6R,9S,12R,15S)-6-(1H-indol-3-ylmethyl)-9-(2-methylpropyl)-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecan-3-yl]acetic acid
Basic Information
CAS
136553-81-6
Multi CAS
No
Molecular Formula
C31H42N6O7
Molecular Weight
610.700000
Exact Mass
610.311498
SMILES
CC(C)C[C@H]1C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](C(=O)N1)C(C)C)CC(=O)O)CC3=CNC4=CC=CC=C43
InChI
InChI=1S/C31H42N6O7/c1-16(2)12-21-27(40)33-22(13-18-15-32-20-9-6-5-8-19(18)20)28(41)35-23(14-25(38)39)31(44)37-11-7-10-24(37)29(42)36-26(17(3)4)30(43)34-21/h5-6,8-9,15-17,21-24,26,32H,7,10-14H2,1-4H3,(H,33,40)(H,34,43)(H,35,41)(H,36,42)(H,38,39)/t21-,22+,23+,24-,26+/m0/s1
InChIKey
VYCMAAOURFJIHD-PJNXIOHISA-N
Computed Properties
Structural Parameters
Heavy atom count
44
Aromatic heavy atom count
9
Fraction Csp3
0.55
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
6
Molar refractivity
161.01
TPSA
189.8
LogP / Solubility
WLOGP
0.83
MLOGP
0.78
XLogP3
2.2
Consensus LogP
1.27
Log S (ESOL)
-3.84
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.17
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.16
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)
-5.86
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
8.5
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