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 |
27049-71-4 / 5-thiophen-2-yl-1,3,4-oxadiazol-2-amine
Basic Information
CAS
27049-71-4
Multi CAS
No
Molecular Formula
C6H5N3OS
Molecular Weight
167.190000
Exact Mass
167.015333
SMILES
C1=CSC(=C1)C2=NN=C(O2)N
InChI
InChI=1S/C6H5N3OS/c7-6-9-8-5(10-6)4-2-1-3-11-4/h1-3H,(H2,7,9)
InChIKey
XNRKGPFTYJTUJZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
42.02
TPSA
64.94
LogP / Solubility
WLOGP
1.38
MLOGP
1.21
XLogP3
0.8
Consensus LogP
1.13
Log S (ESOL)
-2.35
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.93
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.01
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.76
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
(2-AMINO-THIAZOL-5-YL)-(4-CHLORO-PHENYL)-METHANONE
- CAS RN: 27053-24-3
- Product Code: SSC-125730
-
Chloro(2-methylphenyl)bis(triphenylphosphine)nickel(II)
- CAS RN: 27057-09-6
- Product Code: SSC-125735
-
5-Pyrimidinecarbonitrile, 1,4-dihydro-2-methyl-4-oxo- (8CI,9CI)
- CAS RN: 27058-54-4
- Product Code: SSC-125737
-
-
-
