CAS RN: 1041852-85-0
AZD7507
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260322 | 5mg / 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1041852-85-0
- Purity/Analytical Methods: >99.0%
1041852-85-0 / 4-(2-fluoro-4-methylanilino)-6-[4-(2-hydroxyethyl)piperazin-1-yl]-7-methoxycinnoline-3-carboxamide
azd7507 | 4-(2-fluoro-4-methylanilino)-6-[4-(2-hydroxyethyl)piperazin-1-yl]-7-methoxycinnoline-3-carboxamide | CHEMBL2409407
Basic Information
CAS
1041852-85-0
Multi CAS
No
Molecular Formula
C23H27FN6O3
Molecular Weight
454.500000
Exact Mass
454.212867
SMILES
CC1=CC(=C(C=C1)NC2=C(N=NC3=CC(=C(C=C32)N4CCN(CC4)CCO)OC)C(=O)N)F
InChI
InChI=1S/C23H27FN6O3/c1-14-3-4-17(16(24)11-14)26-21-15-12-19(30-7-5-29(6-8-30)9-10-31)20(33-2)13-18(15)27-28-22(21)23(25)32/h3-4,11-13,31H,5-10H2,1-2H3,(H2,25,32)(H,26,27)
InChIKey
CPDGCAFPSYOTGO-UHFFFAOYSA-N
Synonyms
azd7507
4-(2-fluoro-4-methylanilino)-6-[4-(2-hydroxyethyl)piperazin-1-yl]-7-methoxycinnoline-3-carboxamide
CHEMBL2409407
4-((2-fluoro-4-methylphenyl)amino)-6-(4-(2-hydroxyethyl)piperazin-1-yl)-7-methoxycinnoline-3-carboxamide
4-[(2-fluoro-4-methylphenyl)amino]-6-[4-(2-hydroxyethyl)piperazin-1-yl]-7-methoxycinnoline-3-carboxamide
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
16
Fraction Csp3
0.35
Rotatable bonds
7
H-bond acceptors
8
H-bond donors
3
Molar refractivity
124.77
TPSA
116.84
LogP / Solubility
WLOGP
2.04
MLOGP
1.83
XLogP3
2.2
Consensus LogP
2.02
Log S (ESOL)
-3.84
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.76
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.15
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.04
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501
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