![CAS 76780-96-6 2,4-dichloro-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/76780-96-6.gif)
CAS RN: 76780-96-6
2,4-dichloro-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-186191
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 | Beijing | Inquiry |
76780-96-6 / 2,4-dichloro-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
Basic Information
CAS
76780-96-6
Multi CAS
No
Molecular Formula
C9H10CL2N2
Molecular Weight
217.090000
Exact Mass
216.022104
InChI
InChI=1S/C9H10Cl2N2/c10-8-6-4-2-1-3-5-7(6)12-9(11)13-8/h1-5H2
InChIKey
WJMGVBPDXSHYBU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.56
H-bond acceptors
2
Molar refractivity
53.31
TPSA
25.78
LogP / Solubility
WLOGP
3.05
MLOGP
2.69
XLogP3
3.9
Consensus LogP
3.21
Log S (ESOL)
-3.45
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.54
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.6
Class (SILICOS-IT)
Poorly 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)
-1.88
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 76780-97-7 2-Chloro-5H,6H,7H-cyclopenta[d]pyrimidin-4-amine molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
2-Chloro-5H,6H,7H-cyclopenta[d]pyrimidin-4-amine
- CAS RN: 76780-97-7
- Product Code: SSC-186192
-
-
3-Hydroxy-4′,5,7-trimethoxyflavane
- CAS RN: 76792-94-4
- Product Code: starshine_CAS76792-94-4
- Purity/Analytical method: >99.0%
-
-
Azathramycin
- CAS RN: 76801-85-9
- Product Code: starshine_CAS76801-85-9
- Purity/Analytical method: >99.0%
-
5-Amino-N,N’-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamide
- CAS RN: 76801-93-9
- Product Code: SSC-186228
![CAS 76780-97-7 2-Chloro-5H,6H,7H-cyclopenta[d]pyrimidin-4-amine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/76780-97-7.gif)
