![CAS 1338574-83-6 N-[[1,1′-Biphenyl]-3-ylmethyl)-N-methylcarbamic acid 4′-(aminocarbonyl)[1,1′-biphenyl]-4-yl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1338574-83-6.gif)
CAS RN: 1338574-83-6
N-[[1,1′-Biphenyl]-3-ylmethyl)-N-methylcarbamic acid 4′-(aminocarbonyl)[1,1′-biphenyl]-4-yl ester
Product Availability
Choose a grade to view its available package options.
8 package records5 with current stock2 grade groups
- Product code: starshine_CAS1338574-83-6
- Purity/Analytical Methods: >99.0%
1338574-83-6 / [4-(4-carbamoylphenyl)phenyl] N-methyl-N-[(3-phenylphenyl)methyl]carbamate
Basic Information
CAS
1338574-83-6
Multi CAS
No
Molecular Formula
C28H24N2O3
Molecular Weight
436.500000
Exact Mass
436.178693
SMILES
CN(CC1=CC(=CC=C1)C2=CC=CC=C2)C(=O)OC3=CC=C(C=C3)C4=CC=C(C=C4)C(=O)N
InChI
InChI=1S/C28H24N2O3/c1-30(19-20-6-5-9-25(18-20)21-7-3-2-4-8-21)28(32)33-26-16-14-23(15-17-26)22-10-12-24(13-11-22)27(29)31/h2-18H,19H2,1H3,(H2,29,31)
InChIKey
UUJGYRHAOHORFC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
24
Fraction Csp3
0.07
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
1
Molar refractivity
129.76
TPSA
72.63
LogP / Solubility
WLOGP
5.75
MLOGP
5.09
XLogP3
5.3
Consensus LogP
5.38
Log S (ESOL)
-6.31
Class (ESOL)
Insoluble
Log S (Ali)
-7.29
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.99
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)
-1.3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
Customers Also Viewed
-
WWL 154
- CAS RN: 1338574-93-8
- Product Code: starshine_CAS1338574-93-8
- Purity/Analytical method: >99.0%
-
2,7,2′,7′-TTBrSFX
- CAS RN: 1338596-81-8
- Product Code: starshine_CAS1338596-81-8
- Purity/Analytical method: >99.0%
-
-
-
2-(4-cyclopropyl-2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
- CAS RN: 1338718-13-0
- Product Code: SSC-040907
-
![CAS 1338651-80-1 2-Amino-4-[(Boc-amino)methyl]pyrimidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1338651-80-1.gif)
