(C12-H18-N2-O2.C4-H10-O2)x-
TL;DR: (C12-H18-N2-O2.C4-H10-O2)x- (CAS 67599-30-8) is a chemical compound with molecular formula C16H28N2O4 and molecular weight 312.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butane-1,4-diol;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane
Also Known As: (C12-H18-N2-O2.C4-H10-O2)x-, 1,4-Butanediol, 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane copolymer, 1,4-Butanediol, polymer with 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane, Butane-1,4-diol--5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane (1/1), butane-1,4-diol; 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-cyclohexane
| Molecular Formula | C16H28N2O4 |
|---|---|
| Molecular Weight | 312.20 g/mol |
| LogP | 1.9942 |
| Topological Polar Surface Area | 99.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 312.2049 |
| Heavy Atoms | 22 |
| Complexity | 408.36887 |
Chemical Identifiers
| CAS Number | 67599-30-8 |
|---|---|
| SMILES | CC1(CC(CC(C1)(C)CN=C=O)N=C=O)C.C(CCO)CO |
Product Overview
(C12-H18-N2-O2.C4-H10-O2)x- (CAS 67599-30-8), with molecular formula C16H28N2O4 and molecular weight 312.20 g/mol. IUPAC: butane-1,4-diol;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane.
Chemical Property Profile of (C12-H18-N2-O2.C4-H10-O2)x-
Property Insights of (C12-H18-N2-O2.C4-H10-O2)x-
The XLogP value of 1.9942 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (C12-H18-N2-O2.C4-H10-O2)x-. The TPSA of 99.32 Ų falls within the moderate polarity range, balancing permeability and solubility for (C12-H18-N2-O2.C4-H10-O2)x-. Following Lipinski's Rule of Five, (C12-H18-N2-O2.C4-H10-O2)x- has 2 hydrogen bond donor(s) and 6 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 (C12-H18-N2-O2.C4-H10-O2)x-?
The CAS number of (C12-H18-N2-O2.C4-H10-O2)x- is 67599-30-8.
What is the molecular formula of (C12-H18-N2-O2.C4-H10-O2)x-?
The molecular formula of (C12-H18-N2-O2.C4-H10-O2)x- is C16H28N2O4.
What is the molecular weight of (C12-H18-N2-O2.C4-H10-O2)x-?
The molecular weight of (C12-H18-N2-O2.C4-H10-O2)x- is 312.20 g/mol.
Where can I buy (C12-H18-N2-O2.C4-H10-O2)x-?
You can request a quote for (C12-H18-N2-O2.C4-H10-O2)x- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (C12-H18-N2-O2.C4-H10-O2)x-?
Yes, KEHONG BIO provides custom synthesis services for (C12-H18-N2-O2.C4-H10-O2)x- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.