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: 1g
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
1179361-84-2 / ethyl 3-aminoimidazole-4-carboxylate
ethyl 1-amino-1H-imidazole-5-carboxylate | ethyl 3-aminoimidazole-4-carboxylate | MFCD12755702
Basic Information
CAS
1179361-84-2
Multi CAS
No
Molecular Formula
C6H9N3O2
Molecular Weight
155.150000
Exact Mass
155.069477
SMILES
CCOC(=O)C1=CN=CN1N
InChI
InChI=1S/C6H9N3O2/c1-2-11-6(10)5-3-8-4-9(5)7/h3-4H,2,7H2,1H3
InChIKey
LERIOFHGELUHFG-UHFFFAOYSA-N
Synonyms
ethyl 1-amino-1H-imidazole-5-carboxylate
ethyl 3-aminoimidazole-4-carboxylate
MFCD12755702
SCHEMBL9920372
DTXSID50676618
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
38.33
TPSA
70.14
LogP / Solubility
WLOGP
-0.23
MLOGP
-0.2
XLogP3
0.9
Consensus LogP
0.16
Log S (ESOL)
-0.86
Class (ESOL)
Very soluble
Log S (Ali)
-0.67
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.72
Class (SILICOS-IT)
Very 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)
-3.83
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
-
-
-
-
4′-ForMyl-2′-Methyl-[1,1′-biphenyl]-4-carboxylic acid
- CAS RN: 1179362-36-7
- Product Code: SSC-017789
-
Isoquinoline-3-carboxiMidaMide hydrochloride
- CAS RN: 1179362-42-5
- Product Code: SSC-017790
-
3-PropoxypicoliniMidaMide hydrochloride
- CAS RN: 1179362-43-6
- Product Code: starshine_CAS1179362-43-6
- Purity/Analytical method: >99.0%
![CAS 1179362-36-7 4′-ForMyl-2′-Methyl-[1,1′-biphenyl]-4-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1179362-36-7.gif)
