(C15-H10-N2-O2.C3-H8-O2.C3-H6-O)x-
TL;DR: (C15-H10-N2-O2.C3-H8-O2.C3-H6-O)x- (CAS 99784-49-3) is a chemical compound with molecular formula C21H24N2O5 and molecular weight 384.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-isocyanato-3-[(3-isocyanatophenyl)methyl]benzene;2-methyloxirane;propane-1,2-diol
Also Known As: (C15-H10-N2-O2.C3-H8-O2.C3-H6-O)x-, 1,2-Propanediol, polymer with 1,1'-methylenebis(isocyanatobenzene) and methyloxirane, 1,2-Propanediol, polymer with 1,1'-methylenebis[isocyanatobenzene] and methyloxirane, 1,2-Propanediol, polymer with 1,1'-methylenebis(isocyanatobenzene) and 2-methyloxirane, 1-isocyanato-3-[(3-isocyanatophenyl)methyl]benzene; 2-methyloxirane; propane-1,2-diol
| Molecular Formula | C21H24N2O5 |
|---|---|
| Molecular Weight | 384.17 g/mol |
| LogP | 2.9766 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 384.16852 |
| Heavy Atoms | 28 |
| Complexity | 395.0 |
Chemical Identifiers
| CAS Number | 99784-49-3 |
|---|---|
| SMILES | CC1CO1.CC(CO)O.C1=CC(=CC(=C1)N=C=O)CC2=CC(=CC=C2)N=C=O |
| InChIKey | BHTNLHJZVOTDKV-UHFFFAOYSA-N |
Product Overview
(C15-H10-N2-O2.C3-H8-O2.C3-H6-O)x- (CAS 99784-49-3), with molecular formula C21H24N2O5 and molecular weight 384.17 g/mol. IUPAC: 1-isocyanato-3-[(3-isocyanatophenyl)methyl]benzene;2-methyloxirane;propane-1,2-diol.
Chemical Property Profile of (C15-H10-N2-O2.C3-H8-O2.C3-H6-O)x-
Property Insights of (C15-H10-N2-O2.C3-H8-O2.C3-H6-O)x-
The XLogP value of 2.9766 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (C15-H10-N2-O2.C3-H8-O2.C3-H6-O)x-. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (C15-H10-N2-O2.C3-H8-O2.C3-H6-O)x-. Following Lipinski's Rule of Five, (C15-H10-N2-O2.C3-H8-O2.C3-H6-O)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.C3-H8-O2.C3-H6-O)x-?
The CAS number of (C15-H10-N2-O2.C3-H8-O2.C3-H6-O)x- is 99784-49-3.
What is the molecular formula of (C15-H10-N2-O2.C3-H8-O2.C3-H6-O)x-?
The molecular formula of (C15-H10-N2-O2.C3-H8-O2.C3-H6-O)x- is C21H24N2O5.
What is the molecular weight of (C15-H10-N2-O2.C3-H8-O2.C3-H6-O)x-?
The molecular weight of (C15-H10-N2-O2.C3-H8-O2.C3-H6-O)x- is 384.17 g/mol.
Where can I buy (C15-H10-N2-O2.C3-H8-O2.C3-H6-O)x-?
You can request a quote for (C15-H10-N2-O2.C3-H8-O2.C3-H6-O)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-O2.C3-H6-O)x-?
Yes, KEHONG BIO provides custom synthesis services for (C15-H10-N2-O2.C3-H8-O2.C3-H6-O)x- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.