CAS RN: 2687222-59-7
4-(6,7-dimethoxyquinazolin-4-yl)-1,4-diazepane-1-sulfonamide hydrochloride
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.20251204 | 5mg / 25mg | Out of stock | 15 business days | Inquiry |
- Product code: SSC-125229
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 | Shenzhen | Inquiry |
2687222-59-7 / 4-(6,7-dimethoxyquinazolin-4-yl)-1,4-diazepane-1-sulfonamide;hydrochloride
Basic Information
CAS
2687222-59-7
Multi CAS
No
Molecular Formula
C15H22ClN5O4S
Molecular Weight
403.900000
Exact Mass
403.108103
SMILES
COC1=C(C=C2C(=C1)C(=NC=N2)N3CCCN(CC3)S(=O)(=O)N)OC.Cl
InChI
InChI=1S/C15H21N5O4S.ClH/c1-23-13-8-11-12(9-14(13)24-2)17-10-18-15(11)19-4-3-5-20(7-6-19)25(16,21)22;/h8-10H,3-7H2,1-2H3,(H2,16,21,22);1H
InChIKey
QUKMVZAYVWFICZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
10
Fraction Csp3
0.47
Rotatable bonds
4
H-bond acceptors
7
H-bond donors
1
Molar refractivity
101.4
TPSA
110.88
LogP / Solubility
WLOGP
0.78
MLOGP
0.71
XLogP3
0.78
Consensus LogP
0.76
Log S (ESOL)
-2.86
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.44
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.42
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.63
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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