RefChem:123413
TL;DR: RefChem:123413 (CAS 70492-08-9) is a chemical compound with molecular formula C45H59N9O12 and molecular weight 917.43 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-butan-2-ylideneamino] N-[3-[2,2-bis[[3-[[(E)-butan-2-ylideneamino]oxycarbonylamino]-2-methylphenyl]carbamoyloxymethyl]butoxycarbonylamino]-2-methylphenyl]carbamate
Also Known As: Carbamic acid, N-(methyl-3-(((((1-methylpropylidene)amino)oxy)carbonyl)amino)phenyl)-, C,C'-(2-ethyl-2-(((((methyl-3-(((((1-methylpropylidene)amino)oxy)carbonyl)amino)phenyl)amino)carbonyl)oxy)methyl)-1,3-propanediyl) ester, Carbamic acid, (methyl-3-(((((1-methylpropylidene)amino)oxy)carbonyl)amino)phenyl)-, 2-ethyl-2-(((((methyl-3-(((((1-methylpropylidene)amino)oxy)carbonyl)amino)phenyl)amino)carbonyl)oxy)methyl)-1,3-propanediyl ester, Carbamic acid, N-[methyl-3-[[[[(1-methylpropylidene)amino]oxy]carbonyl]amino]phenyl]-, C,C'-[2-ethyl-2-[[[[[methyl-3-[[[[(1-methylpropylidene)amino]oxy]carbonyl]amino]phenyl]amino]carbonyl]oxy]methyl]-1,3-propanediyl] ester
| Molecular Formula | C45H59N9O12 |
|---|---|
| Molecular Weight | 917.43 g/mol |
| LogP | 11.05736 |
| Topological Polar Surface Area | 267.06 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 19 |
| Exact Mass | 917.42834 |
| Heavy Atoms | 66 |
| Complexity | 2063.6782 |
Chemical Identifiers
| CAS Number | 70492-08-9 |
|---|---|
| SMILES | CC/C(=N/OC(=O)NC1=CC=CC(=C1C)NC(=O)OCC(COC(=O)NC2=C(C(=CC=C2)NC(=O)O/N=C(/CC)\C)C)(COC(=O)NC3=C(C(=CC=C3)NC(=O)O/N=C(/CC)\C)C)CC)/C |
Product Overview
RefChem:123413 (CAS 70492-08-9), with molecular formula C45H59N9O12 and molecular weight 917.43 g/mol. IUPAC: [(E)-butan-2-ylideneamino] N-[3-[2,2-bis[[3-[[(E)-butan-2-ylideneamino]oxycarbonylamino]-2-methylphenyl]carbamoyloxymethyl]butoxycarbonylamino]-2-methylphenyl]carbamate.
Chemical Property Profile of RefChem:123413
Property Insights of RefChem:123413
The XLogP value of 11.05736 indicates that RefChem:123413 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 267.06 Ų indicates high polarity, suggesting RefChem:123413 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:123413 has 6 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:123413?
The CAS number of RefChem:123413 is 70492-08-9.
What is the molecular formula of RefChem:123413?
The molecular formula of RefChem:123413 is C45H59N9O12.
What is the molecular weight of RefChem:123413?
The molecular weight of RefChem:123413 is 917.43 g/mol.
Where can I buy RefChem:123413?
You can request a quote for RefChem:123413 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:123413?
Yes, KEHONG BIO provides custom synthesis services for RefChem:123413 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.