![CAS 26830-29-5 4-Chloro-5,6,7,8-tetrahydro-7-methyl-pyrido[4′,3′:4,5]thieno[2,3-d]pyrimidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/26830-29-5.gif)
CAS RN: 26830-29-5
4-Chloro-5,6,7,8-tetrahydro-7-methyl-pyrido[4′,3′:4,5]thieno[2,3-d]pyrimidine
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260207 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS26830-29-5
- Purity/Analytical Methods: >99.0%
26830-29-5 / 3-chloro-11-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene
Basic Information
CAS
26830-29-5
Multi CAS
No
Molecular Formula
C10H10ClN3S
Molecular Weight
239.730000
Exact Mass
239.028396
SMILES
CN1CCC2=C(C1)SC3=C2C(=NC=N3)Cl
InChI
InChI=1S/C10H10ClN3S/c1-14-3-2-6-7(4-14)15-10-8(6)9(11)12-5-13-10/h5H,2-4H2,1H3
InChIKey
CNMGTRPOXVYQCC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.4
H-bond acceptors
4
Molar refractivity
62.46
TPSA
29.02
LogP / Solubility
WLOGP
2.33
MLOGP
2.06
XLogP3
2.4
Consensus LogP
2.26
Log S (ESOL)
-3.24
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.21
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.15
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.53
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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Pyrido[4′,3′:4,5]thieno[2,3-d]pyrimidine, 4-chloro-5,6,7,8-tetrahydro-7-methyl-, monohydrochloride
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- Product Code: starshine_CAS26830-30-8
- Purity/Analytical method: >99.0%
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![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)
