![CAS 26830-30-8 Pyrido[4′,3′:4,5]thieno[2,3-d]pyrimidine, 4-chloro-5,6,7,8-tetrahydro-7-methyl-, monohydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/26830-30-8.gif)
CAS RN: 26830-30-8
Pyrido[4′,3′:4,5]thieno[2,3-d]pyrimidine, 4-chloro-5,6,7,8-tetrahydro-7-methyl-, monohydrochloride
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250313 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS26830-30-8
- Purity/Analytical Methods: >99.0%
26830-30-8 / 3-chloro-11-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene;hydrochloride
Basic Information
CAS
26830-30-8
Multi CAS
No
Molecular Formula
C10H11Cl2N3S
Molecular Weight
276.180000
Exact Mass
275.005074
SMILES
CN1CCC2=C(C1)SC3=C2C(=NC=N3)Cl.Cl
InChI
InChI=1S/C10H10ClN3S.ClH/c1-14-3-2-6-7(4-14)15-10-8(6)9(11)12-5-13-10;/h5H,2-4H2,1H3;1H
InChIKey
UIONYIFAVXPXNF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
69.71
TPSA
29.02
LogP / Solubility
WLOGP
2.75
MLOGP
2.43
XLogP3
2.75
Consensus LogP
2.64
Log S (ESOL)
-3.7
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.81
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.74
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.45
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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HARRINGTONINE
- CAS RN: 26833-85-2
- Product Code: starshine_CAS26833-85-2
- Purity/Analytical method: >99.0%
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