CAS RN: 444932-31-4
TC-O 9311
Product Availability
Choose a grade to view its available package options.
4 package records0 with current stock1 grade group
- Product code: starshine_CAS444932-31-4
- Purity/Analytical Methods: >99.0%
444932-31-4 / 1-[(3,5-dimethoxybenzoyl)amino]-3-naphthalen-1-ylurea
Basic Information
CAS
444932-31-4
Multi CAS
No
Molecular Formula
C20H19N3O4
Molecular Weight
365.400000
Exact Mass
365.137556
InChI
InChI=1S/C20H19N3O4/c1-26-15-10-14(11-16(12-15)27-2)19(24)22-23-20(25)21-18-9-5-7-13-6-3-4-8-17(13)18/h3-12H,1-2H3,(H,22,24)(H2,21,23,25)
InChIKey
KPTMSQHTGZMEFU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
16
Fraction Csp3
0.1
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
3
Molar refractivity
103.11
TPSA
88.69
LogP / Solubility
WLOGP
3.32
MLOGP
2.94
XLogP3
3.3
Consensus LogP
3.19
Log S (ESOL)
-4.37
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.96
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.27
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)
-2.59
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
2.5
Customers Also Viewed
-
-
2-(2-ethoxy-4-formyl-6-iodophenoxy)acetamide
- CAS RN: 444999-98-8
- Product Code: SSC-152523
-
2-(4-BROMO-2-FORMYLPHENOXY)-N-PHENYLACETAMIDE
- CAS RN: 445002-75-5
- Product Code: SSC-152537
-
-
Benzoic acid, 4-amino-2-methyl-, 1,1-dimethylethyl ester (9CI)
- CAS RN: 445003-39-4
- Product Code: SSC-152539
-
N4-Banzoyl-5′-O-(4,4′-dimethoxytrityl)-5-methyl-2′-O,4′-C-methylenecytidine
- CAS RN: 445012-77-1
- Product Code: starshine_CAS445012-77-1
- Purity/Analytical method: >99.0%
