(C13-H10-O3.C12-H18-N2-O2.C6-H14-O2.C6-H10-O2)x-
TL;DR: (C13-H10-O3.C12-H18-N2-O2.C6-H14-O2.C6-H10-O2)x- (CAS 87836-98-4) is a chemical compound with molecular formula C37H52N2O9 and molecular weight 668.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diphenyl carbonate;hexane-1,6-diol;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane;oxepan-2-one
Also Known As: (C13-H10-O3.C12-H18-N2-O2.C6-H14-O2.C6-H10-O2)x-, Carbonic acid, diphenyl ester, polymer with 1,6-hexanediol, 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane and 2-oxepanone, Carbonic acid, diphenyl ester, polymer with 1,6-hexanediol, 5-isocyanato-1-(isocyanatomethyl) -1,3,3-trimethylcyclohexane and 2-oxepanone, Carbonic acid, diphenyl ester, polymer with 1,6-hexanediol,5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane and 2-oxepanone, diphenyl carbonate; hexane-1,6-diol; 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-cyclohexane; oxepan-2-one
| Molecular Formula | C37H52N2O9 |
|---|---|
| Molecular Weight | 668.37 g/mol |
| LogP | 7.1424 |
| Topological Polar Surface Area | 161.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 12 |
| Exact Mass | 668.3673 |
| Heavy Atoms | 48 |
| Complexity | 665.0 |
Chemical Identifiers
| CAS Number | 87836-98-4 |
|---|---|
| SMILES | CC1(CC(CC(C1)(C)CN=C=O)N=C=O)C.C1CCC(=O)OCC1.C1=CC=C(C=C1)OC(=O)OC2=CC=CC=C2.C(CCCO)CCO |
| InChIKey | MOMGWGRZFMZFLR-UHFFFAOYSA-N |
Product Overview
(C13-H10-O3.C12-H18-N2-O2.C6-H14-O2.C6-H10-O2)x- (CAS 87836-98-4), with molecular formula C37H52N2O9 and molecular weight 668.37 g/mol. IUPAC: diphenyl carbonate;hexane-1,6-diol;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane;oxepan-2-one.
Chemical Property Profile of (C13-H10-O3.C12-H18-N2-O2.C6-H14-O2.C6-H10-O2)x-
Property Insights of (C13-H10-O3.C12-H18-N2-O2.C6-H14-O2.C6-H10-O2)x-
The XLogP value of 7.1424 indicates that (C13-H10-O3.C12-H18-N2-O2.C6-H14-O2.C6-H10-O2)x- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 161.0 Ų indicates high polarity, suggesting (C13-H10-O3.C12-H18-N2-O2.C6-H14-O2.C6-H10-O2)x- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (C13-H10-O3.C12-H18-N2-O2.C6-H14-O2.C6-H10-O2)x- has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (C13-H10-O3.C12-H18-N2-O2.C6-H14-O2.C6-H10-O2)x-?
The CAS number of (C13-H10-O3.C12-H18-N2-O2.C6-H14-O2.C6-H10-O2)x- is 87836-98-4.
What is the molecular formula of (C13-H10-O3.C12-H18-N2-O2.C6-H14-O2.C6-H10-O2)x-?
The molecular formula of (C13-H10-O3.C12-H18-N2-O2.C6-H14-O2.C6-H10-O2)x- is C37H52N2O9.
What is the molecular weight of (C13-H10-O3.C12-H18-N2-O2.C6-H14-O2.C6-H10-O2)x-?
The molecular weight of (C13-H10-O3.C12-H18-N2-O2.C6-H14-O2.C6-H10-O2)x- is 668.37 g/mol.
Where can I buy (C13-H10-O3.C12-H18-N2-O2.C6-H14-O2.C6-H10-O2)x-?
You can request a quote for (C13-H10-O3.C12-H18-N2-O2.C6-H14-O2.C6-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 (C13-H10-O3.C12-H18-N2-O2.C6-H14-O2.C6-H10-O2)x-?
Yes, KEHONG BIO provides custom synthesis services for (C13-H10-O3.C12-H18-N2-O2.C6-H14-O2.C6-H10-O2)x- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.