(C15-H10-N2-O2.C6-H14-O3)x-
TL;DR: (C15-H10-N2-O2.C6-H14-O3)x- (CAS 68092-57-9) is a chemical compound with molecular formula C21H28N2O5 and molecular weight 388.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-hydroxypropoxy)propan-1-ol;5-isocyanato-5-[(1-isocyanatocyclohexa-2,4-dien-1-yl)methyl]cyclohexa-1,3-diene
Also Known As: (C15-H10-N2-O2.C6-H14-O3)x-, Dipropylene glycol, methylenebis(phenylisocyanate) polymer, Propanol, oxybis-, polymer with 1,1'-methylenebis[isocyanatobenzene], Propanol, oxybis-, polymer with 1,1'-methylenebis(isocyanatobenzene), 3,3'-Oxydi(propan-1-ol)--5,5'-methylenebis(5-isocyanatocyclohexa-1,3-diene) (1/1)
| Molecular Formula | C21H28N2O5 |
|---|---|
| Molecular Weight | 388.20 g/mol |
| LogP | 2.3257 |
| Topological Polar Surface Area | 108.55 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 388.19983 |
| Heavy Atoms | 28 |
| Complexity | 616.28345 |
Chemical Identifiers
| CAS Number | 68092-57-9 |
|---|---|
| SMILES | C1C=CC=CC1(CC2(CC=CC=C2)N=C=O)N=C=O.C(CO)COCCCO |
Product Overview
(C15-H10-N2-O2.C6-H14-O3)x- (CAS 68092-57-9), with molecular formula C21H28N2O5 and molecular weight 388.20 g/mol. IUPAC: 3-(3-hydroxypropoxy)propan-1-ol;5-isocyanato-5-[(1-isocyanatocyclohexa-2,4-dien-1-yl)methyl]cyclohexa-1,3-diene.
Chemical Property Profile of (C15-H10-N2-O2.C6-H14-O3)x-
Property Insights of (C15-H10-N2-O2.C6-H14-O3)x-
The XLogP value of 2.3257 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (C15-H10-N2-O2.C6-H14-O3)x-. The TPSA of 108.55 Ų falls within the moderate polarity range, balancing permeability and solubility for (C15-H10-N2-O2.C6-H14-O3)x-. Following Lipinski's Rule of Five, (C15-H10-N2-O2.C6-H14-O3)x- has 2 hydrogen bond donor(s) and 7 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.C6-H14-O3)x-?
The CAS number of (C15-H10-N2-O2.C6-H14-O3)x- is 68092-57-9.
What is the molecular formula of (C15-H10-N2-O2.C6-H14-O3)x-?
The molecular formula of (C15-H10-N2-O2.C6-H14-O3)x- is C21H28N2O5.
What is the molecular weight of (C15-H10-N2-O2.C6-H14-O3)x-?
The molecular weight of (C15-H10-N2-O2.C6-H14-O3)x- is 388.20 g/mol.
Where can I buy (C15-H10-N2-O2.C6-H14-O3)x-?
You can request a quote for (C15-H10-N2-O2.C6-H14-O3)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.C6-H14-O3)x-?
Yes, KEHONG BIO provides custom synthesis services for (C15-H10-N2-O2.C6-H14-O3)x- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.