N,N'-(Methylenedi-4,1-phenylene)bis(O-(carbamoyl)acetone oxime)
TL;DR: N,N'-(Methylenedi-4,1-phenylene)bis(O-(carbamoyl)acetone oxime) (CAS 88096-17-7) is a chemical compound with molecular formula C21H24N4O4 and molecular weight 396.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(propan-2-ylideneamino) N-[4-[[4-[(propan-2-ylideneamino)oxycarbonylamino]phenyl]methyl]phenyl]carbamate
Also Known As: J1.996.049H, Bis[4-(isopropylideneaminooxycarbonylamino)phenyl]methane, N,N'-(METHYLENEDI-4,1-PHENYLENE)BIS(O-(CARBAMOYL)ACETONE OXIME), (propan-2-ylidene)amino N-[4-({4-[({[(propan-2-ylidene)amino]oxy}carbonyl)amino]phenyl}methyl)phenyl]carbamate, (propan-2-ylideneamino) N-[4-[[4-[(propan-2-ylideneamino)oxycarbonylamino]phenyl]methyl]phenyl]carbamate
| Molecular Formula | C21H24N4O4 |
|---|---|
| Molecular Weight | 396.18 g/mol |
| LogP | 5.166 |
| Topological Polar Surface Area | 101.38 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 396.17975 |
| Heavy Atoms | 29 |
| Complexity | 819.78326 |
Chemical Identifiers
| CAS Number | 88096-17-7 |
|---|---|
| SMILES | CC(=NOC(=O)NC1=CC=C(C=C1)CC2=CC=C(C=C2)NC(=O)ON=C(C)C)C |
Product Overview
N,N'-(Methylenedi-4,1-phenylene)bis(O-(carbamoyl)acetone oxime) (CAS 88096-17-7), with molecular formula C21H24N4O4 and molecular weight 396.18 g/mol. IUPAC: (propan-2-ylideneamino) N-[4-[[4-[(propan-2-ylideneamino)oxycarbonylamino]phenyl]methyl]phenyl]carbamate.
Chemical Property Profile of N,N'-(Methylenedi-4,1-phenylene)bis(O-(carbamoyl)acetone oxime)
Property Insights of N,N'-(Methylenedi-4,1-phenylene)bis(O-(carbamoyl)acetone oxime)
The XLogP value of 5.166 indicates that N,N'-(Methylenedi-4,1-phenylene)bis(O-(carbamoyl)acetone oxime) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.38 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N'-(Methylenedi-4,1-phenylene)bis(O-(carbamoyl)acetone oxime). Following Lipinski's Rule of Five, N,N'-(Methylenedi-4,1-phenylene)bis(O-(carbamoyl)acetone oxime) has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N,N'-(Methylenedi-4,1-phenylene)bis(O-(carbamoyl)acetone oxime)?
The CAS number of N,N'-(Methylenedi-4,1-phenylene)bis(O-(carbamoyl)acetone oxime) is 88096-17-7.
What is the molecular formula of N,N'-(Methylenedi-4,1-phenylene)bis(O-(carbamoyl)acetone oxime)?
The molecular formula of N,N'-(Methylenedi-4,1-phenylene)bis(O-(carbamoyl)acetone oxime) is C21H24N4O4.
What is the molecular weight of N,N'-(Methylenedi-4,1-phenylene)bis(O-(carbamoyl)acetone oxime)?
The molecular weight of N,N'-(Methylenedi-4,1-phenylene)bis(O-(carbamoyl)acetone oxime) is 396.18 g/mol.
Where can I buy N,N'-(Methylenedi-4,1-phenylene)bis(O-(carbamoyl)acetone oxime)?
You can request a quote for N,N'-(Methylenedi-4,1-phenylene)bis(O-(carbamoyl)acetone oxime) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N'-(Methylenedi-4,1-phenylene)bis(O-(carbamoyl)acetone oxime)?
Yes, KEHONG BIO provides custom synthesis services for N,N'-(Methylenedi-4,1-phenylene)bis(O-(carbamoyl)acetone oxime) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.