N,N',2-Tris(6-isocyanatohexyl)-imidodicarbonic diamide
TL;DR: N,N',2-Tris(6-isocyanatohexyl)-imidodicarbonic diamide (CAS 4035-89-6) is a chemical compound with molecular formula C23H38N6O5 and molecular weight 478.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-bis(6-isocyanatohexyl)-1-(6-isocyanatohexylcarbamoyl)urea
Also Known As: 1,3,5-Tris(6-isocyanatohexyl)biuret, Hexamethylene diisocyanate biuret, Tris(isocyanatohexyl)biuret, HDI biuret, HDI-BIURET
| Molecular Formula | C23H38N6O5 |
|---|---|
| Molecular Weight | 478.29 g/mol |
| LogP | 6.9 |
| Topological Polar Surface Area | 150.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 21 |
| Exact Mass | 478.29037 |
| Heavy Atoms | 34 |
| Complexity | 654.0 |
| Melting Point | -19.0 °C |
Chemical Identifiers
| CAS Number | 4035-89-6 |
|---|---|
| SMILES | C(CCCN=C=O)CCNC(=O)N(CCCCCCN=C=O)C(=O)NCCCCCCN=C=O |
| InChIKey | QKOWXXDOHMJOMQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N,N',2-Tris(6-isocyanatohexyl)-imidodicarbonic diamide (CAS 4035-89-6), with molecular formula C23H38N6O5 and molecular weight 478.29 g/mol. IUPAC: 1,3-bis(6-isocyanatohexyl)-1-(6-isocyanatohexylcarbamoyl)urea.
Chemical Property Profile of N,N',2-Tris(6-isocyanatohexyl)-imidodicarbonic diamide
Property Insights of N,N',2-Tris(6-isocyanatohexyl)-imidodicarbonic diamide
The XLogP value of 6.9 indicates that N,N',2-Tris(6-isocyanatohexyl)-imidodicarbonic diamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 150.0 Ų indicates high polarity, suggesting N,N',2-Tris(6-isocyanatohexyl)-imidodicarbonic diamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N,N',2-Tris(6-isocyanatohexyl)-imidodicarbonic diamide has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N,N',2-Tris(6-isocyanatohexyl)-imidodicarbonic diamide?
The CAS number of N,N',2-Tris(6-isocyanatohexyl)-imidodicarbonic diamide is 4035-89-6.
What is the molecular formula of N,N',2-Tris(6-isocyanatohexyl)-imidodicarbonic diamide?
The molecular formula of N,N',2-Tris(6-isocyanatohexyl)-imidodicarbonic diamide is C23H38N6O5.
What is the molecular weight of N,N',2-Tris(6-isocyanatohexyl)-imidodicarbonic diamide?
The molecular weight of N,N',2-Tris(6-isocyanatohexyl)-imidodicarbonic diamide is 478.29 g/mol.
Where can I buy N,N',2-Tris(6-isocyanatohexyl)-imidodicarbonic diamide?
You can request a quote for N,N',2-Tris(6-isocyanatohexyl)-imidodicarbonic diamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N',2-Tris(6-isocyanatohexyl)-imidodicarbonic diamide?
Yes, KEHONG BIO provides custom synthesis services for N,N',2-Tris(6-isocyanatohexyl)-imidodicarbonic diamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.