CAS RN: 1095822-37-9
9-methyl-9H-purine-6-carboxylic acid
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260522 | 25mg / 50mg / 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1095822-37-9
- Purity/Analytical Methods: >99.0%
1095822-37-9 / 9-methylpurine-6-carboxylic acid
9-METHYL-9H-PURINE-6-CARBOXYLIC ACID | RefChem:549469 | 986-219-0
Basic Information
CAS
1095822-37-9
Multi CAS
No
Molecular Formula
C7H6N4O2
Molecular Weight
178.150000
Exact Mass
178.049075
SMILES
CN1C=NC2=C(N=CN=C21)C(=O)O
InChI
InChI=1S/C7H6N4O2/c1-11-3-10-4-5(7(12)13)8-2-9-6(4)11/h2-3H,1H3,(H,12,13)
InChIKey
GRRAXXUDPBJLJM-UHFFFAOYSA-N
Synonyms
9-METHYL-9H-PURINE-6-CARBOXYLIC ACID
RefChem:549469
986-219-0
9-methylpurine-6-carboxylic acid
MFCD20660139
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
43.26
TPSA
80.9
LogP / Solubility
WLOGP
0.06
MLOGP
0.05
XLogP3
0.2
Consensus LogP
0.1
Log S (ESOL)
-1.43
Class (ESOL)
Soluble
Log S (Ali)
-1.07
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.99
Class (SILICOS-IT)
Very 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)
-3.76
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Customers Also Viewed
-
![CAS 1095822-86-8 6-methyl-7H-pyrrolo[2,3-d]pyrimidine-4-carboxylic acid molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
6-methyl-7H-pyrrolo[2,3-d]pyrimidine-4-carboxylic acid
- CAS RN: 1095822-86-8
- Product Code: starshine_CAS1095822-86-8
- Purity/Analytical method: >99.0%
-
6,7-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-4-carboxylic acid
- CAS RN: 1095822-90-4
- Product Code: SSC-010952
-
-
5-Chloro-4-(trifluoromethyl)pyridin-2-amine
- CAS RN: 1095823-39-4
- Product Code: SSC-010954
-
5-ThiazolecarboxaMide, 2-[(1R)-1-aMinoethyl]-N-[5-chloro-4-(trifluoroMethyl)-2-pyridinyl]-
- CAS RN: 1095823-62-3
- Product Code: starshine_CAS1095823-62-3
- Purity/Analytical method: >99.0%
-
![CAS 1095822-86-8 6-methyl-7H-pyrrolo[2,3-d]pyrimidine-4-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1095822-86-8.gif)
![CAS 1095822-90-4 6,7-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-4-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1095822-90-4.gif)
![CAS 1095823-37-2 2-[1-(Cbz-aMino)Methyl]-5… molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1095823-37-2.gif)
![CAS 1095823-62-3 5-ThiazolecarboxaMide, 2-[(1R)-1-aMinoethyl]-N-[5-chloro-4-(trifluoroMethyl)-2-pyridinyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1095823-62-3.gif)
