(C57-H104-O9.C15-H10-N2-O2)x-
TL;DR: (C57-H104-O9.C15-H10-N2-O2)x- (CAS 68170-35-4) is a chemical compound with molecular formula C72H114N2O11 and molecular weight 1182.84 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-bis[[(E)-12-hydroxyoctadec-9-enoyl]oxy]propyl (E)-12-hydroxyoctadec-9-enoate;1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene
Also Known As: (C57-H104-O9.C15-H10-N2-O2)x-, Glyceryl triricinoleate, 4,4'-diphenylmethane diisocyanate polymer, 2,3-bis[[(E)-12-hydroxyoctadec-9-enoyl]oxy]propyl (E)-12-hydroxyoctadec-9-enoate; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene, 9-Octadecenoic acid, 12-hydroxy-, 1,2,3-propanetriyl ester, (9Z,9'Z,9''Z,12R,12'R,12''R)-, polymer with 1,1'-methylenebis[4-isocyanatobenzene], 9-Octadecenoic acid, 12-hydroxy-, 1,1',1''-(1,2,3-propanetriyl) ester, (9Z,9'Z,9''Z,12R,12'R,12''R)-, polymer with 1,1'-methylenebis(4-isocyanatobenzene)
| Molecular Formula | C72H114N2O11 |
|---|---|
| Molecular Weight | 1182.84 g/mol |
| LogP | 18.2215 |
| Topological Polar Surface Area | 198.45 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 54 |
| Exact Mass | 1182.8423 |
| Heavy Atoms | 85 |
| Complexity | 1990.2466 |
Chemical Identifiers
| CAS Number | 68170-35-4 |
|---|---|
| SMILES | CCCCCCC(O)C/C=C/CCCCCCCC(=O)OCC(OC(=O)CCCCCCC/C=C/CC(O)CCCCCC)COC(=O)CCCCCCC/C=C/CC(O)CCCCCC.C1=CC(=CC=C1CC2=CC=C(C=C2)N=C=O)N=C=O |
Product Overview
(C57-H104-O9.C15-H10-N2-O2)x- (CAS 68170-35-4), with molecular formula C72H114N2O11 and molecular weight 1182.84 g/mol. IUPAC: 2,3-bis[[(E)-12-hydroxyoctadec-9-enoyl]oxy]propyl (E)-12-hydroxyoctadec-9-enoate;1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene.
Chemical Property Profile of (C57-H104-O9.C15-H10-N2-O2)x-
Property Insights of (C57-H104-O9.C15-H10-N2-O2)x-
The XLogP value of 18.2215 indicates that (C57-H104-O9.C15-H10-N2-O2)x- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 198.45 Ų indicates high polarity, suggesting (C57-H104-O9.C15-H10-N2-O2)x- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (C57-H104-O9.C15-H10-N2-O2)x- has 3 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (C57-H104-O9.C15-H10-N2-O2)x-?
The CAS number of (C57-H104-O9.C15-H10-N2-O2)x- is 68170-35-4.
What is the molecular formula of (C57-H104-O9.C15-H10-N2-O2)x-?
The molecular formula of (C57-H104-O9.C15-H10-N2-O2)x- is C72H114N2O11.
What is the molecular weight of (C57-H104-O9.C15-H10-N2-O2)x-?
The molecular weight of (C57-H104-O9.C15-H10-N2-O2)x- is 1182.84 g/mol.
Where can I buy (C57-H104-O9.C15-H10-N2-O2)x-?
You can request a quote for (C57-H104-O9.C15-H10-N2-O2)x- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (C57-H104-O9.C15-H10-N2-O2)x-?
Yes, KEHONG BIO provides custom synthesis services for (C57-H104-O9.C15-H10-N2-O2)x- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.