CAS RN: 223663-32-9
Collagen proline hydroxylase inhibitor-1
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.20250702 | 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS223663-32-9
- Purity/Analytical Methods: >99.0%
223663-32-9 / 8-(4-benzylpiperazine-1-carbonyl)-3-nitro-1H-1,10-phenanthrolin-4-one
Basic Information
CAS
223663-32-9
Multi CAS
No
Molecular Formula
C24H21N5O4
Molecular Weight
443.500000
Exact Mass
443.159354
SMILES
C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CN=C4C(=C3)C=CC5=C4NC=C(C5=O)[N+](=O)[O-]
InChI
InChI=1S/C24H21N5O4/c30-23-19-7-6-17-12-18(13-25-21(17)22(19)26-14-20(23)29(32)33)24(31)28-10-8-27(9-11-28)15-16-4-2-1-3-5-16/h1-7,12-14H,8-11,15H2,(H,26,30)
InChIKey
HPDVDDAVQSIBPH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
20
Fraction Csp3
0.21
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
1
Molar refractivity
124.15
TPSA
112.44
LogP / Solubility
WLOGP
2.94
MLOGP
2.62
XLogP3
2.6
Consensus LogP
2.72
Log S (ESOL)
-4.63
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.32
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.46
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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N-Ethyl-7,10-dihydro-8-nitro-7-oxo-N-propyl-1,10-phenanthroline-3-carboxamide
- CAS RN: 223666-07-7
- Product Code: starshine_CAS223666-07-7
- Purity/Analytical method: >99.0%
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