(C15-H10-N2-O2.C9-H20-O4.C4-H10-O2.C3-H8-O2)x-
TL;DR: (C15-H10-N2-O2.C9-H20-O4.C4-H10-O2.C3-H8-O2)x- (CAS 70644-57-4) is a chemical compound with molecular formula C31H48N2O10 and molecular weight 608.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butane-1,3-diol;3-[2-(3-hydroxypropoxy)propoxy]propan-1-ol;1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene;propane-1,2-diol
Also Known As: (C15-H10-N2-O2.C9-H20-O4.C4-H10-O2.C3-H8-O2)x-, 1,2-Propanediol, 1,3-butanediol, tripropylene glycol, diphenylmethane diisocyanate polymer, 1,3-Butanediol, polymer with 1,1'-methylenebis(4-isocyanatobenzene), ((1-methyl-1,2-ethanediyl)bis(oxy))bis(propanol) and 1,2-propanediol, 1,3-Butanediol, polymer with 1,1'-methylenebis[4-isocyanatobenzene], [(1-methyl-1,2-ethanediyl)bis(oxy)]bis[propanol] and 1,2-propanediol, butane-1,3-diol; 3-[2-(3-hydroxypropoxy)propoxy]propan-1-ol; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene; propane-1,2-diol
| Molecular Formula | C31H48N2O10 |
|---|---|
| Molecular Weight | 608.33 g/mol |
| LogP | 2.494 |
| Topological Polar Surface Area | 199.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 16 |
| Exact Mass | 608.3309 |
| Heavy Atoms | 43 |
| Complexity | 479.0 |
Chemical Identifiers
| CAS Number | 70644-57-4 |
|---|---|
| SMILES | CC(CCO)O.CC(CO)O.CC(COCCCO)OCCCO.C1=CC(=CC=C1CC2=CC=C(C=C2)N=C=O)N=C=O |
| InChIKey | OJRVAWBEKJMKHX-UHFFFAOYSA-N |
Product Overview
(C15-H10-N2-O2.C9-H20-O4.C4-H10-O2.C3-H8-O2)x- (CAS 70644-57-4), with molecular formula C31H48N2O10 and molecular weight 608.33 g/mol. IUPAC: butane-1,3-diol;3-[2-(3-hydroxypropoxy)propoxy]propan-1-ol;1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene;propane-1,2-diol.
Chemical Property Profile of (C15-H10-N2-O2.C9-H20-O4.C4-H10-O2.C3-H8-O2)x-
Property Insights of (C15-H10-N2-O2.C9-H20-O4.C4-H10-O2.C3-H8-O2)x-
The XLogP value of 2.494 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (C15-H10-N2-O2.C9-H20-O4.C4-H10-O2.C3-H8-O2)x-. The TPSA of 199.0 Ų indicates high polarity, suggesting (C15-H10-N2-O2.C9-H20-O4.C4-H10-O2.C3-H8-O2)x- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (C15-H10-N2-O2.C9-H20-O4.C4-H10-O2.C3-H8-O2)x- has 6 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (C15-H10-N2-O2.C9-H20-O4.C4-H10-O2.C3-H8-O2)x-?
The CAS number of (C15-H10-N2-O2.C9-H20-O4.C4-H10-O2.C3-H8-O2)x- is 70644-57-4.
What is the molecular formula of (C15-H10-N2-O2.C9-H20-O4.C4-H10-O2.C3-H8-O2)x-?
The molecular formula of (C15-H10-N2-O2.C9-H20-O4.C4-H10-O2.C3-H8-O2)x- is C31H48N2O10.
What is the molecular weight of (C15-H10-N2-O2.C9-H20-O4.C4-H10-O2.C3-H8-O2)x-?
The molecular weight of (C15-H10-N2-O2.C9-H20-O4.C4-H10-O2.C3-H8-O2)x- is 608.33 g/mol.
Where can I buy (C15-H10-N2-O2.C9-H20-O4.C4-H10-O2.C3-H8-O2)x-?
You can request a quote for (C15-H10-N2-O2.C9-H20-O4.C4-H10-O2.C3-H8-O2)x- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (C15-H10-N2-O2.C9-H20-O4.C4-H10-O2.C3-H8-O2)x-?
Yes, KEHONG BIO provides custom synthesis services for (C15-H10-N2-O2.C9-H20-O4.C4-H10-O2.C3-H8-O2)x- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.