![CAS 1638764-22-3 4-chloro-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1638764-22-3.gif)
CAS RN: 1638764-22-3
4-chloro-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine
- Product code: SSC-071367
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 |
1638764-22-3 / 4-chloro-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine
Basic Information
CAS
1638764-22-3
Multi CAS
No
Molecular Formula
C8H8ClN3
Molecular Weight
181.620000
Exact Mass
181.040675
SMILES
CC1=CC2=C(N1)N=C(N=C2Cl)C
InChI
InChI=1S/C8H8ClN3/c1-4-3-6-7(9)11-5(2)12-8(6)10-4/h3H,1-2H3,(H,10,11,12)
InChIKey
CQRHTSFHCJFYEX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.25
H-bond acceptors
2
H-bond donors
1
Molar refractivity
48.37
TPSA
41.57
LogP / Solubility
WLOGP
2.23
MLOGP
1.96
XLogP3
2.4
Consensus LogP
2.2
Log S (ESOL)
-2.92
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.66
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.69
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.25
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
-
tert-butyl N-(1-methyl-3-oxocyclopentyl)carbamate
- CAS RN: 1638764-30-3
- Product Code: SSC-071368
-
methyl 1-methyl-2-oxo-2,3-dihydro-1H-indole-6-carboxylate
- CAS RN: 1638764-31-4
- Product Code: SSC-071369
-
2,4-Dichloro-5,7-dimethyl-7H-pyrrolo[2,3-d]pyrimidine
- CAS RN: 1638764-36-9
- Product Code: SSC-071371
-
-
5-CHLORO-1H-INDAZOL-4-OL
- CAS RN: 1638764-61-0
- Product Code: starshine_CAS1638764-61-0
- Purity/Analytical method: >99.0%
-
![CAS 1638764-36-9 2,4-Dichloro-5,7-dimethyl-7H-pyrrolo[2,3-d]pyrimidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB43131280.gif)
![CAS 1638764-42-7 4,6-Dichlorothieno[2,3-d]pyrimidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1638764-42-7.gif)
