CAS RN: 229971-81-7
ADH 1
Product Availability
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9 package records9 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250820 | 5mg / 10mg / 50mg / 100mg | Confirm by inquiry | Shanghai | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250331 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250603 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250310 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20260328 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20250907 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20251102 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20251201 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20260419 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS229971-81-7
- Purity/Analytical Methods: >99.0%
229971-81-7 / (4R,7S,10S,13S,16R)-16-acetamido-13-(1H-imidazol-5-ylmethyl)-10-methyl-6,9,12,15-tetraoxo-7-propan-2-yl-1,2-dithia-5,8,11,14-tetrazacycloheptadecane-4-carboxamide
Basic Information
CAS
229971-81-7
Multi CAS
Yes
Molecular Formula
C22H34N8O6S2
Molecular Weight
570.700000
Exact Mass
570.204273
InChI
InChI=1S/C22H34N8O6S2/c1-10(2)17-22(36)29-15(18(23)32)7-37-38-8-16(27-12(4)31)21(35)28-14(5-13-6-24-9-25-13)20(34)26-11(3)19(33)30-17/h6,9-11,14-17H,5,7-8H2,1-4H3,(H2,23,32)(H,24,25)(H,26,34)(H,27,31)(H,28,35)(H,29,36)(H,30,33)/t11-,14-,15-,16-,17-/m0/s1
InChIKey
FQVLRGLGWNWPSS-BXBUPLCLSA-N
Computed Properties
Structural Parameters
Heavy atom count
38
Aromatic heavy atom count
5
Fraction Csp3
0.59
Rotatable bonds
5
H-bond acceptors
9
H-bond donors
7
Molar refractivity
142.24
TPSA
217.27
LogP / Solubility
WLOGP
-2.05
MLOGP
-1.76
XLogP3
-1.7
Consensus LogP
-1.84
Log S (ESOL)
-1.86
Class (ESOL)
Soluble
Log S (Ali)
-2.76
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.27
Class (SILICOS-IT)
Moderately 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)
-7.66
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
8
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