CAS RN: 20041-90-1
caffeidine
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
- Product code: SSC-094361
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 | Shenzhen | Inquiry |
20041-90-1 / N,3-dimethyl-5-(methylamino)imidazole-4-carboxamide
Basic Information
CAS
20041-90-1
Multi CAS
No
Molecular Formula
C7H12N4O
Molecular Weight
168.200000
Exact Mass
168.101111
SMILES
CNC1=C(N(C=N1)C)C(=O)NC
InChI
InChI=1S/C7H12N4O/c1-8-6-5(7(12)9-2)11(3)4-10-6/h4,8H,1-3H3,(H,9,12)
InChIKey
FNYXJOYPHLKLRW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.43
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
46.14
TPSA
58.95
LogP / Solubility
WLOGP
-0.18
MLOGP
-0.16
XLogP3
0.5
Consensus LogP
0.05
Log S (ESOL)
-0.95
Class (ESOL)
Very soluble
Log S (Ali)
-0.81
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.85
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)
-3.87
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-Nitrophenyl beta-D-galactopyranoside
- CAS RN: 200422-18-0
- Product Code: starshine_CAS200422-18-0
- Purity/Analytical method: >99.0%
-
2,3-DIHYDRO-6-METHYL-1H-INDEN-1-OL
- CAS RN: 200425-63-4
- Product Code: starshine_CAS200425-63-4
- Purity/Analytical method: >99.0%
-
Glycine, glycylglycyl-L-phenylalanyl-
- CAS RN: 200427-88-9
- Product Code: starshine_CAS200427-88-9
- Purity/Analytical method: >99.0%
-
benzyl 2-[(2S)-2-[(2S)-2-(2-{[(tert-butoxy)carbonyl]amino}acetamido)-3-phenylpropanamido]-4-methylpentanamido]acetate
- CAS RN: 200427-89-0
- Product Code: SSC-094366
-
1-[2,5-Anhydro-4-C-(hydroxymethyl)-alpha-L-lyxofuranosyl]-2,4(1H,3H)-pyrimidinedione
- CAS RN: 200435-92-3
- Product Code: SSC-094369
-
1,2-Benzisothiazole,2,3-dihydro-2-(2-propyn-1-yl)-,1,1-dioxide
- CAS RN: 20044-78-4
- Product Code: SSC-094371
![CAS 200427-89-0 benzyl 2-[(2S)-2-[(2S)-2-(2-{[(tert-butoxy)carbonyl]amino}acetamido)-3-phenylpropanamido]-4-methylpentanamido]acetate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/200427-89-0.gif)
![CAS 200435-92-3 1-[2,5-Anhydro-4-C-(hydroxymethyl)-alpha-L-lyxofuranosyl]-2,4(1H,3H)-pyrimidinedione molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/200435-92-3.gif)
