![CAS 299937-28-3 5-(5-CHLORO-2-METHOXY-PHENYL)-[1,3,4]THIADIAZOL-2-YLAMINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/299937-28-3.png)
CAS RN: 299937-28-3
5-(5-CHLORO-2-METHOXY-PHENYL)-[1,3,4]THIADIAZOL-2-YLAMINE
- Product code: SSC-133535
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 5g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
299937-28-3 / 5-(5-chloro-2-methoxyphenyl)-1,3,4-thiadiazol-2-amine
Basic Information
CAS
299937-28-3
Multi CAS
No
Molecular Formula
C9H8CLN3OS
Molecular Weight
241.700000
Exact Mass
241.007661
InChI
InChI=1S/C9H8ClN3OS/c1-14-7-3-2-5(10)4-6(7)8-12-13-9(11)15-8/h2-4H,1H3,(H2,11,13)
InChIKey
YSDRZPMZEDZVJN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
11
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
61.32
TPSA
61.03
LogP / Solubility
WLOGP
2.45
MLOGP
2.16
XLogP3
2.3
Consensus LogP
2.3
Log S (ESOL)
-3.29
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.31
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.5
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)
-2.46
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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