![CAS 1638644-62-8 6-Chloro-10,11,14,17-tetrahydro-13H-1,16-etheno-4,8-metheno-1H-pyrazolo[3,4-g][1,14,4,6]dioxadiazacyclohexadecine hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1638644-62-8.gif)
CAS RN: 1638644-62-8
6-Chloro-10,11,14,17-tetrahydro-13H-1,16-etheno-4,8-metheno-1H-pyrazolo[3,4-g][1,14,4,6]dioxadiazacyclohexadecine hydrochloride
Product Availability
Choose a grade to view its available package options.
6 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250829 | 100mg | Out of stock | Inquiry | |
| Batchno.20251123 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250223 | 250mg | Out of stock | Inquiry | |
| Batchno.20260104 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20260218 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20250520 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1638644-62-8
- Purity/Analytical Methods: >99.0%
1638644-62-8 / 4-chloro-7,10-dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.12,6.017,20]docosa-1(20),2(22),3,5,14(21),15,18-heptaene
Basic Information
CAS
1638644-62-8
Multi CAS
No
Molecular Formula
C16H15ClN4O2
Molecular Weight
330.770000
Exact Mass
330.088353
SMILES
C1COCCOC2=CC(=CC(=C2)C3=C4N=C(N1)C=CN4N=C3)Cl
InChI
InChI=1S/C16H15ClN4O2/c17-12-7-11-8-13(9-12)23-6-5-22-4-2-18-15-1-3-21-16(20-15)14(11)10-19-21/h1,3,7-10H,2,4-6H2,(H,18,20)
InChIKey
KTSDBMVHAKWDRK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
15
Fraction Csp3
0.25
H-bond acceptors
6
H-bond donors
1
Molar refractivity
88.24
TPSA
60.68
LogP / Solubility
WLOGP
2.87
MLOGP
2.54
XLogP3
2.5
Consensus LogP
2.64
Log S (ESOL)
-4.18
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.34
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.19
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.7
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
8.5
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