![CAS 39715-99-6 6-N-CARBETHOXY-3-CHLORO-7,8-DIHYDRO-5H-PYRIDO[4,3-C]PYRIDAZINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/39715-99-6.gif)
CAS RN: 39715-99-6
6-N-CARBETHOXY-3-CHLORO-7,8-DIHYDRO-5H-PYRIDO[4,3-C]PYRIDAZINE
- Product code: SSC-147431
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g, 5g
- Available purity: >97%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
39715-99-6 / ethyl 3-chloro-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylate
Basic Information
CAS
39715-99-6
Multi CAS
No
Molecular Formula
C10H12CLN3O2
Molecular Weight
241.670000
Exact Mass
241.061804
InChI
InChI=1S/C10H12ClN3O2/c1-2-16-10(15)14-4-3-8-7(6-14)5-9(11)13-12-8/h5H,2-4,6H2,1H3
InChIKey
VJSCICINBIBEOF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
58.18
TPSA
55.32
LogP / Solubility
WLOGP
1.64
MLOGP
1.45
XLogP3
0.9
Consensus LogP
1.33
Log S (ESOL)
-2.59
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.73
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.72
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)
-3.03
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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ETHYL 3-OXO-2,3,7,8-TETRAHYDROPYRIDO[4,3-C]PYRIDAZINE-6(5H)-CARBOXYLATE
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- Product Code: SSC-147433
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ALATERNIN
- CAS RN: 39723-40-5
- Product Code: starshine_CAS39723-40-5
- Purity/Analytical method: >99.0%
![CAS 39716-48-8 ETHYL 3-OXO-2,3,7,8-TETRAHYDROPYRIDO[4,3-C]PYRIDAZINE-6(5H)-CARBOXYLATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/39716-48-8.gif)
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