![CAS 1638767-99-3 2-chloro-7-methyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1638767-99-3.gif)
CAS RN: 1638767-99-3
2-chloro-7-methyl-7H-pyrrolo[2,3-d]pyrimidine-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.20250904 | 500mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1638767-99-3
- Purity/Analytical Methods: >99.0%
1638767-99-3 / 2-chloro-7-methylpyrrolo[2,3-d]pyrimidine-6-carboxylic acid
Basic Information
CAS
1638767-99-3
Multi CAS
No
Molecular Formula
C8H6ClN3O2
Molecular Weight
211.600000
Exact Mass
211.014854
SMILES
CN1C(=CC2=CN=C(N=C21)Cl)C(=O)O
InChI
InChI=1S/C8H6ClN3O2/c1-12-5(7(13)14)2-4-3-10-8(9)11-6(4)12/h2-3H,1H3,(H,13,14)
InChIKey
KVUGZODVGSOSFU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
50.48
TPSA
68.01
LogP / Solubility
WLOGP
1.32
MLOGP
1.16
XLogP3
1.4
Consensus LogP
1.29
Log S (ESOL)
-2.39
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.25
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.25
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)
-3.07
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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