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 | Hong Kong | Inquiry |
1203801-06-2 / 5-(2-methyl-5-nitrophenyl)-2H-tetrazole
5-(2-Methyl-5-nitrophenyl)-2H-tetrazole | MFCD18375291 | 5-(2-Methyl-5-nitrophenyl)-1H-tetrazole
Basic Information
CAS
1203801-06-2
Multi CAS
Yes
Molecular Formula
C8H7N5O2
Molecular Weight
205.170000
Exact Mass
205.059974
SMILES
CC1=C(C=C(C=C1)[N+](=O)[O-])C2=NNN=N2
InChI
InChI=1S/C8H7N5O2/c1-5-2-3-6(13(14)15)4-7(5)8-9-11-12-10-8/h2-4H,1H3,(H,9,10,11,12)
InChIKey
CXJBGDXUUOJLGR-UHFFFAOYSA-N
Synonyms
5-(2-Methyl-5-nitrophenyl)-2H-tetrazole
MFCD18375291
5-(2-Methyl-5-nitrophenyl)-1H-tetrazole
AC3188
AKOS011379074
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
11
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
51.01
TPSA
97.6
LogP / Solubility
WLOGP
1.08
MLOGP
0.95
XLogP3
1.3
Consensus LogP
1.11
Log S (ESOL)
-2.21
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.02
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.13
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.2
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
Customers Also Viewed
-
ethyl 1-(2-(methoxycarbonyl)-4-nitrophenyl)-5-methyl-1H-imidazole-4-carboxylate
- CAS RN: 1203852-75-8
- Product Code: SSC-021354
-
-
4-ethyl-N-(4-((3-ethynylphenyl)amino)-7-methoxyquinazolin-6-yl)piperazine-1-carboxamide
- CAS RN: 1203902-67-3
- Product Code: starshine_CAS1203902-67-3
- Purity/Analytical method: >99.0%
-
Methyl 8-(3-aMinophenylaMino)-8-oxooctanoate
- CAS RN: 1204005-97-9
- Product Code: starshine_CAS1204005-97-9
- Purity/Analytical method: >99.0%
-
N-(2-(2-Azidoethoxy)ethyl)-5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide
- CAS RN: 1204085-48-2
- Product Code: SSC-021375
-
8-BROMO-6-FLUOROQUINAZOLIN-4(3H)-ONE
- CAS RN: 1204101-90-5
- Product Code: starshine_CAS1204101-90-5
- Purity/Analytical method: >99.0%
![CAS 1204085-48-2 N-(2-(2-Azidoethoxy)ethyl)-5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1204085-48-2.gif)
