![CAS 77995-55-2 4-HYDRAZINO-2,5,6-TRIMETHYLTHIENO[2,3-D]PYRIMIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/77995-55-2.gif)
CAS RN: 77995-55-2
4-HYDRAZINO-2,5,6-TRIMETHYLTHIENO[2,3-D]PYRIMIDINE
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260220 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS77995-55-2
- Purity/Analytical Methods: >99.0%
77995-55-2 / (2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)hydrazine
Basic Information
CAS
77995-55-2
Multi CAS
No
Molecular Formula
C9H12N4S
Molecular Weight
208.290000
Exact Mass
208.078268
InChI
InChI=1S/C9H12N4S/c1-4-5(2)14-9-7(4)8(13-10)11-6(3)12-9/h10H2,1-3H3,(H,11,12,13)
InChIKey
CMPBIWVMOPSFSD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
2
Molar refractivity
59.44
TPSA
63.83
LogP / Solubility
WLOGP
1.9
MLOGP
1.67
XLogP3
2.3
Consensus LogP
1.96
Log S (ESOL)
-2.74
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.64
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.71
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.64
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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