(C15-H10-N2-O2.C3-H8-O3.3(C3H6-O.C2-H4-O)x-)x-
TL;DR: (C15-H10-N2-O2.C3-H8-O3.3(C3H6-O.C2-H4-O)x-)x- (CAS 59675-67-1) is a chemical compound with molecular formula C23H30N2O8 and molecular weight 462.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene;2-methyloxirane;oxirane;propane-1,2,3-triol;hydrate
Also Known As: (C15-H10-N2-O2.C3-H8-O3.3(C3H6-O.C2-H4-O)x-)x-, Oxirane, methyl-, polymer with oxirane, ether with 1,2,3-propanetriol (3:1), polymer with 1,1'-methylenebis[4-isocyanatobenzene], 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene; 2-methyloxirane; oxirane; propane-1,2,3-triol; hydrate, Methyloxirane polymer with oxirane ether with 1,2,3 propanetriol polymer with 1,1' methylene bis [4-isocyanatobenzene], Oxirane, 2-methyl-, polymer with oxirane, ether with 1,2,3-propanetriol (3:1), polymer with 1,1'-methylenebis(4-isocyanatobenzene)
| Molecular Formula | C23H30N2O8 |
|---|---|
| Molecular Weight | 462.20 g/mol |
| LogP | 1.1409 |
| Topological Polar Surface Area | 146.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 462.20023 |
| Heavy Atoms | 33 |
| Complexity | 394.0 |
Chemical Identifiers
| CAS Number | 59675-67-1 |
|---|---|
| SMILES | CC1CO1.C1CO1.C1=CC(=CC=C1CC2=CC=C(C=C2)N=C=O)N=C=O.C(C(CO)O)O.O |
| InChIKey | IBCVQEAKYMPXAJ-UHFFFAOYSA-N |
Product Overview
(C15-H10-N2-O2.C3-H8-O3.3(C3H6-O.C2-H4-O)x-)x- (CAS 59675-67-1), with molecular formula C23H30N2O8 and molecular weight 462.20 g/mol. IUPAC: 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene;2-methyloxirane;oxirane;propane-1,2,3-triol;hydrate.
Chemical Property Profile of (C15-H10-N2-O2.C3-H8-O3.3(C3H6-O.C2-H4-O)x-)x-
Property Insights of (C15-H10-N2-O2.C3-H8-O3.3(C3H6-O.C2-H4-O)x-)x-
The XLogP value of 1.1409 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (C15-H10-N2-O2.C3-H8-O3.3(C3H6-O.C2-H4-O)x-)x-. The TPSA of 146.0 Ų indicates high polarity, suggesting (C15-H10-N2-O2.C3-H8-O3.3(C3H6-O.C2-H4-O)x-)x- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (C15-H10-N2-O2.C3-H8-O3.3(C3H6-O.C2-H4-O)x-)x- has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (C15-H10-N2-O2.C3-H8-O3.3(C3H6-O.C2-H4-O)x-)x-?
The CAS number of (C15-H10-N2-O2.C3-H8-O3.3(C3H6-O.C2-H4-O)x-)x- is 59675-67-1.
What is the molecular formula of (C15-H10-N2-O2.C3-H8-O3.3(C3H6-O.C2-H4-O)x-)x-?
The molecular formula of (C15-H10-N2-O2.C3-H8-O3.3(C3H6-O.C2-H4-O)x-)x- is C23H30N2O8.
What is the molecular weight of (C15-H10-N2-O2.C3-H8-O3.3(C3H6-O.C2-H4-O)x-)x-?
The molecular weight of (C15-H10-N2-O2.C3-H8-O3.3(C3H6-O.C2-H4-O)x-)x- is 462.20 g/mol.
Where can I buy (C15-H10-N2-O2.C3-H8-O3.3(C3H6-O.C2-H4-O)x-)x-?
You can request a quote for (C15-H10-N2-O2.C3-H8-O3.3(C3H6-O.C2-H4-O)x-)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.C3-H8-O3.3(C3H6-O.C2-H4-O)x-)x-?
Yes, KEHONG BIO provides custom synthesis services for (C15-H10-N2-O2.C3-H8-O3.3(C3H6-O.C2-H4-O)x-)x- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.