![CAS 81765-97-1 4-CHLORO-2-METHYL-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/81765-97-1.gif)
CAS RN: 81765-97-1
4-CHLORO-2-METHYL-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[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.20260427 | 100mg / 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS81765-97-1
- Purity/Analytical Methods: >99.0%
81765-97-1 / 4-chloro-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
Basic Information
CAS
81765-97-1
Multi CAS
Yes
Molecular Formula
C11H11CLN2S
Molecular Weight
238.740000
Exact Mass
238.033147
InChI
InChI=1S/C11H11ClN2S/c1-6-13-10(12)9-7-4-2-3-5-8(7)15-11(9)14-6/h2-5H2,1H3
InChIKey
VBBUCJFANWYVMU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.45
H-bond acceptors
3
Molar refractivity
63.8
TPSA
25.78
LogP / Solubility
WLOGP
3.53
MLOGP
3.11
XLogP3
4.1
Consensus LogP
3.58
Log S (ESOL)
-3.99
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.07
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.14
Class (SILICOS-IT)
Slightly 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)
-1.67
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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