![CAS 877202-74-9 1-(4-Chlorophenyl)-3-[3-[6-(pyrrolidin-1-yl)pyridin-2-yl]phenyl]urea molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/877202-74-9.gif)
CAS RN: 877202-74-9
1-(4-Chlorophenyl)-3-[3-[6-(pyrrolidin-1-yl)pyridin-2-yl]phenyl]urea
Product Availability
Choose a grade to view its available package options.
6 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260424 | 1mg / 5mg / 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS877202-74-9
- Purity/Analytical Methods: >99.0%
877202-74-9 / 1-(4-chlorophenyl)-3-[3-(6-pyrrolidin-1-yl-2-pyridinyl)phenyl]urea
Basic Information
CAS
877202-74-9
Multi CAS
No
Molecular Formula
C22H21CLN4O
Molecular Weight
392.900000
Exact Mass
392.140389
InChI
InChI=1S/C22H21ClN4O/c23-17-9-11-18(12-10-17)24-22(28)25-19-6-3-5-16(15-19)20-7-4-8-21(26-20)27-13-1-2-14-27/h3-12,15H,1-2,13-14H2,(H2,24,25,28)
InChIKey
HDAYFSFWIPRJSO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
18
Fraction Csp3
0.18
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
115.21
TPSA
57.26
LogP / Solubility
WLOGP
5.65
MLOGP
4.99
XLogP3
4.6
Consensus LogP
5.08
Log S (ESOL)
-6.04
Class (ESOL)
Insoluble
Log S (Ali)
-6.86
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.38
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.11
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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