Carbamic acid, N-(3-isocyanatomethylphenyl)-, C,C',C''-1,2,3-propanetriyl ester
TL;DR: Carbamic acid, N-(3-isocyanatomethylphenyl)-, C,C',C''-1,2,3-propanetriyl ester (CAS 28470-82-8) is a chemical compound with molecular formula C30H26N6O9 and molecular weight 614.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[[3-(isocyanatomethyl)phenyl]carbamoyloxy]-3-[[4-(isocyanatomethyl)phenyl]carbamoyloxy]propyl] N-[3-(isocyanatomethyl)phenyl]carbamate
Also Known As: Carbamic acid, (3-isocyanatomethylphenyl)-, 1,2,3-propanetriyl ester, Propane-1,2,3-triyl tris((3-isocyanatomethylphenyl)carbamate), Carbamic acid, N-(3-isocyanatomethylphenyl)-, C,C',C''-1,2,3-propanetriyl ester, 3-({[4-(isocyanatomethyl)phenyl]carbamoyl}oxy)propane-1,2-diyl bis{[3-(isocyanatomethyl)phenyl]carbamate}, PROPANE-1,2,3-TRIYL TRIS[(3-ISOCYANATOMETHYLPHENYL)CARBAMATE]
| Molecular Formula | C30H26N6O9 |
|---|---|
| Molecular Weight | 614.18 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 203.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 17 |
| Exact Mass | 614.17615 |
| Heavy Atoms | 45 |
| Complexity | 1110.0 |
Chemical Identifiers
| CAS Number | 28470-82-8 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC(=O)OCC(COC(=O)NC2=CC=C(C=C2)CN=C=O)OC(=O)NC3=CC=CC(=C3)CN=C=O)CN=C=O |
| InChIKey | GFIMEFLCLHOWRA-UHFFFAOYSA-N |
Product Overview
Carbamic acid, N-(3-isocyanatomethylphenyl)-, C,C',C''-1,2,3-propanetriyl ester (CAS 28470-82-8), with molecular formula C30H26N6O9 and molecular weight 614.18 g/mol. IUPAC: [2-[[3-(isocyanatomethyl)phenyl]carbamoyloxy]-3-[[4-(isocyanatomethyl)phenyl]carbamoyloxy]propyl] N-[3-(isocyanatomethyl)phenyl]carbamate.
Chemical Property Profile of Carbamic acid, N-(3-isocyanatomethylphenyl)-, C,C',C''-1,2,3-propanetriyl ester
Property Insights of Carbamic acid, N-(3-isocyanatomethylphenyl)-, C,C',C''-1,2,3-propanetriyl ester
The XLogP value of 6.3 indicates that Carbamic acid, N-(3-isocyanatomethylphenyl)-, C,C',C''-1,2,3-propanetriyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 203.0 Ų indicates high polarity, suggesting Carbamic acid, N-(3-isocyanatomethylphenyl)-, C,C',C''-1,2,3-propanetriyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Carbamic acid, N-(3-isocyanatomethylphenyl)-, C,C',C''-1,2,3-propanetriyl ester has 3 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Carbamic acid, N-(3-isocyanatomethylphenyl)-, C,C',C''-1,2,3-propanetriyl ester?
The CAS number of Carbamic acid, N-(3-isocyanatomethylphenyl)-, C,C',C''-1,2,3-propanetriyl ester is 28470-82-8.
What is the molecular formula of Carbamic acid, N-(3-isocyanatomethylphenyl)-, C,C',C''-1,2,3-propanetriyl ester?
The molecular formula of Carbamic acid, N-(3-isocyanatomethylphenyl)-, C,C',C''-1,2,3-propanetriyl ester is C30H26N6O9.
What is the molecular weight of Carbamic acid, N-(3-isocyanatomethylphenyl)-, C,C',C''-1,2,3-propanetriyl ester?
The molecular weight of Carbamic acid, N-(3-isocyanatomethylphenyl)-, C,C',C''-1,2,3-propanetriyl ester is 614.18 g/mol.
Where can I buy Carbamic acid, N-(3-isocyanatomethylphenyl)-, C,C',C''-1,2,3-propanetriyl ester?
You can request a quote for Carbamic acid, N-(3-isocyanatomethylphenyl)-, C,C',C''-1,2,3-propanetriyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamic acid, N-(3-isocyanatomethylphenyl)-, C,C',C''-1,2,3-propanetriyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, N-(3-isocyanatomethylphenyl)-, C,C',C''-1,2,3-propanetriyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.