EINECS 269-712-9
TL;DR: EINECS 269-712-9 (CAS 68310-46-3) is a chemical compound with molecular formula C33H50N6O15 and molecular weight 770.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-[2,2-bis[(5-isocyanato-6-methoxy-6-oxohexyl)carbamoyloxymethyl]butoxycarbonylamino]-2-isocyanatohexanoate
Also Known As: Lysine diisocyanate methyl ester, trimethylolpropane adduct, dimethyl 11-ethyl-2,20-diisocyanato-11-({[(5-isocyanato-6-methoxy-6-oxohexyl)carbamoyl]oxy}methyl)-8,14-dioxo-9,13-dioxa-7,15-diazahenicosane-1,21-dioate(non-preferred name), Dimethyl ((2-ethyl-2-(((((5-isocyanato-1(or5)-(methoxycarbonyl)pentyl)amino)carbonyl)oxy)methyl)propane-1,3-diyl)bis(oxycarbonylimino))bis(isocyanatohexanoate), Dimethyl((2-ethyl-2-(((((5-isocyanato-1(or 5)-(methoxycarbonyl)pentyl)amino)carbonyl)oxy)methyl)-1,3-propanediyl)bis(oxycarbonylimino))bis(isocyanatohexanoate), Dimethyl[[2-ethyl-2-[[[[[5-isocyanato-1(or 5)-(methoxycarbonyl)pentyl]amino]carbonyl]oxy]methyl]-1,3-propanediyl]bis(oxycarbonylimino)]bis[isocyanatohexanoate]
| Molecular Formula | C33H50N6O15 |
|---|---|
| Molecular Weight | 770.33 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 282.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 34 |
| Exact Mass | 770.33344 |
| Heavy Atoms | 54 |
| Complexity | 1190.0 |
Chemical Identifiers
| CAS Number | 68310-46-3 |
|---|---|
| SMILES | CCC(COC(=O)NCCCCC(C(=O)OC)N=C=O)(COC(=O)NCCCCC(C(=O)OC)N=C=O)COC(=O)NCCCCC(C(=O)OC)N=C=O |
| InChIKey | SEHCMLWYKBQWST-UHFFFAOYSA-N |
Product Overview
EINECS 269-712-9 (CAS 68310-46-3), with molecular formula C33H50N6O15 and molecular weight 770.33 g/mol. IUPAC: methyl 6-[2,2-bis[(5-isocyanato-6-methoxy-6-oxohexyl)carbamoyloxymethyl]butoxycarbonylamino]-2-isocyanatohexanoate.
Chemical Property Profile of EINECS 269-712-9
Property Insights of EINECS 269-712-9
The XLogP value of 6.3 indicates that EINECS 269-712-9 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 282.0 Ų indicates high polarity, suggesting EINECS 269-712-9 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 269-712-9 has 3 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 269-712-9?
The CAS number of EINECS 269-712-9 is 68310-46-3.
What is the molecular formula of EINECS 269-712-9?
The molecular formula of EINECS 269-712-9 is C33H50N6O15.
What is the molecular weight of EINECS 269-712-9?
The molecular weight of EINECS 269-712-9 is 770.33 g/mol.
Where can I buy EINECS 269-712-9?
You can request a quote for EINECS 269-712-9 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 269-712-9?
Yes, KEHONG BIO provides custom synthesis services for EINECS 269-712-9 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.