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 | Shanghai | Inquiry |
1790-91-6 / 2,3-dichloro-6,7-dimethoxyquinoxaline
Basic Information
CAS
1790-91-6
Multi CAS
No
Molecular Formula
C10H8Cl2N2O2
Molecular Weight
259.090000
Exact Mass
257.996283
SMILES
COC1=C(C=C2C(=C1)N=C(C(=N2)Cl)Cl)OC
InChI
InChI=1S/C10H8Cl2N2O2/c1-15-7-3-5-6(4-8(7)16-2)14-10(12)9(11)13-5/h3-4H,1-2H3
InChIKey
NQGVKCNEXNZDPT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
62.66
TPSA
44.24
LogP / Solubility
WLOGP
2.95
MLOGP
2.61
XLogP3
3.1
Consensus LogP
2.89
Log S (ESOL)
-3.64
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.82
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.04
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.2
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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BIS(DIETHYLAMINO)PHOSPHOROCHLORIDATE
- CAS RN: 1794-24-7
- Product Code: starshine_CAS1794-24-7
- Purity/Analytical method: >99.0%
