RefChem:446524
TL;DR: RefChem:446524 (CAS 85702-90-5) is a chemical compound with molecular formula C29H54N6O8SSi and molecular weight 674.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(3-trimethoxysilylpropyl) N-[6-[[6-isocyanatohexyl(6-isocyanatohexylcarbamoyl)carbamoyl]amino]hexyl]carbamothioate
Also Known As: EC 402-290-8, 2,9,11,13-Tetraazanonadecanethioic acid, 19-isocyanato-11-(6-isocyanatohexyl)-10,12-dioxo-, S-(3-(trimethoxysilyl)propyl) ester, 2,9,11,13-Tetraazanonadecanethioic acid, 19-isocyanato-11-(6-isocyanatohexyl)-10,12-dioxo-, S-[3-(trimethoxysilyl)propyl] ester, 2,9,11,13-Tetraazanonadecanethioicacid,19-isocyanato-11- -10,12-dioxo-,S-3- propylester, 1-({[6-(7,7-DIMETHOXY-2-OXO-8-OXA-3-THIA-1-AZA-7-SILANONAN-1-YL)HEXYL]CARBAMOYL}(6-ISOCYANATOHEXYL)AMINO)-N-(6-ISOCYANATOHEXYL)FORMAMIDE
| Molecular Formula | C29H54N6O8SSi |
|---|---|
| Molecular Weight | 674.35 g/mol |
| LogP | 4.7714 |
| Topological Polar Surface Area | 202.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 29 |
| Exact Mass | 674.3493 |
| Heavy Atoms | 45 |
| Complexity | 894.0 |
Chemical Identifiers
| CAS Number | 85702-90-5 |
|---|---|
| SMILES | CO[Si](CCCSC(=O)NCCCCCCNC(=O)N(CCCCCCN=C=O)C(=O)NCCCCCCN=C=O)(OC)OC |
| InChIKey | IUUDMTXXKNFQGD-UHFFFAOYSA-N |
Product Overview
RefChem:446524 (CAS 85702-90-5), with molecular formula C29H54N6O8SSi and molecular weight 674.35 g/mol. IUPAC: S-(3-trimethoxysilylpropyl) N-[6-[[6-isocyanatohexyl(6-isocyanatohexylcarbamoyl)carbamoyl]amino]hexyl]carbamothioate.
Chemical Property Profile of RefChem:446524
Property Insights of RefChem:446524
The XLogP value of 4.7714 indicates that RefChem:446524 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 202.0 Ų indicates high polarity, suggesting RefChem:446524 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:446524 has 3 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 RefChem:446524?
The CAS number of RefChem:446524 is 85702-90-5.
What is the molecular formula of RefChem:446524?
The molecular formula of RefChem:446524 is C29H54N6O8SSi.
What is the molecular weight of RefChem:446524?
The molecular weight of RefChem:446524 is 674.35 g/mol.
Where can I buy RefChem:446524?
You can request a quote for RefChem:446524 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:446524?
Yes, KEHONG BIO provides custom synthesis services for RefChem:446524 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.