EINECS 270-379-7
TL;DR: EINECS 270-379-7 (CAS 68426-00-6) is a chemical compound with molecular formula C45H84N9O6+3 and molecular weight 846.65 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(propan-2-ylamino) N-[(1S,3R)-3-[[3,5-bis[[(1S,5S)-1,3,3-trimethyl-5-[(propan-2-ylamino)oxycarbonylamino]cyclohexyl]methyl]-1,3,5-triazine-1,3,5-triium-1-yl]methyl]-3,5,5-trimethylcyclohexyl]carbamate
Also Known As: EINECS 270-379-7, (propan-2-ylamino) N-[(1S,3R)-3-[[3,5-bis[[(1S,5S)-1,3,3-trimethyl-5-[(propan-2-ylamino)oxycarbonylamino]cyclohexyl]methyl]-1,3,5-triazine-1,3,5-triium-1-yl]methyl]-3,5,5-trimethylcyclohexyl]carbamate, 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris((1,3,3-trimethyl-5-(((((1-methylethylidene)amino)oxy)carbonyl)amino)cyclohexyl)methyl)-, 1,3,5-Tris((5-((((isopropylideneamino)oxy)carbonyl)amino)-1,3,3-trimethylcyclohexyl)methyl)-1,3,5-triazine-2,4,6(1H,3H,5H)-trione, N,N',N''-Tris(3-(isopropylideneoximido-O-carbonylamino)-1,5,5-trimethylcyclohexylmethyl)-2,4,6-triketohexahydrotriazine
| Molecular Formula | C45H84N9O6+3 |
|---|---|
| Molecular Weight | 846.65 g/mol |
| LogP | 6.2217 |
| Topological Polar Surface Area | 162.72 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 15 |
| Exact Mass | 846.6545 |
| Heavy Atoms | 60 |
| Complexity | 1437.6287 |
Chemical Identifiers
| CAS Number | 68426-00-6 |
|---|---|
| SMILES | CC(C)NOC(=O)N[C@@H]1C[C@@](CC(C1)(C)C)(C)C[N+]2=C[N+](=C[N+](=C2)C[C@]3(C[C@H](CC(C3)(C)C)NC(=O)ONC(C)C)C)C[C@@]4(C[C@H](CC(C4)(C)C)NC(=O)ONC(C)C)C |
Product Overview
EINECS 270-379-7 (CAS 68426-00-6), with molecular formula C45H84N9O6+3 and molecular weight 846.65 g/mol. IUPAC: (propan-2-ylamino) N-[(1S,3R)-3-[[3,5-bis[[(1S,5S)-1,3,3-trimethyl-5-[(propan-2-ylamino)oxycarbonylamino]cyclohexyl]methyl]-1,3,5-triazine-1,3,5-triium-1-yl]methyl]-3,5,5-trimethylcyclohexyl]carbamate.
Chemical Property Profile of EINECS 270-379-7
Property Insights of EINECS 270-379-7
The XLogP value of 6.2217 indicates that EINECS 270-379-7 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 162.72 Ų indicates high polarity, suggesting EINECS 270-379-7 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 270-379-7 has 6 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 270-379-7?
The CAS number of EINECS 270-379-7 is 68426-00-6.
What is the molecular formula of EINECS 270-379-7?
The molecular formula of EINECS 270-379-7 is C45H84N9O6+3.
What is the molecular weight of EINECS 270-379-7?
The molecular weight of EINECS 270-379-7 is 846.65 g/mol.
Where can I buy EINECS 270-379-7?
You can request a quote for EINECS 270-379-7 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 270-379-7?
Yes, KEHONG BIO provides custom synthesis services for EINECS 270-379-7 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.