Carbamic acid, hexamethylenedi-, bis(3-iodo-2-propynyl) ester
TL;DR: Carbamic acid, hexamethylenedi-, bis(3-iodo-2-propynyl) ester (CAS 55406-56-9) is a chemical compound with molecular formula C14H18I2N2O4 and molecular weight 531.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-iodoprop-2-ynyl N-[6-(3-iodoprop-2-ynoxycarbonylamino)hexyl]carbamate
Also Known As: Hexamethylenedicarbamic acid bis(3-iodo-2-propynyl) ester, Di(3-iodo-2-propynyl)hexamethylene-1,6-dicarbamate, CARBAMIC ACID, HEXAMETHYLENEDI-, BIS(3-IODO-2-PROPYNYL) ESTER, Carbamic acid, 1,6-hexanediylbis-, bis(3-iodo-2-propynyl) ester, bis(3-iodoprop-2-yn-1-yl) hexane-1,6-diylbiscarbamate
| Molecular Formula | C14H18I2N2O4 |
|---|---|
| Molecular Weight | 531.94 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 76.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 531.9356 |
| Heavy Atoms | 22 |
| Complexity | 426.0 |
Chemical Identifiers
| CAS Number | 55406-56-9 |
|---|---|
| SMILES | C(CCCNC(=O)OCC#CI)CCNC(=O)OCC#CI |
| InChIKey | QVKFOIYWSPUKGG-UHFFFAOYSA-N |
Product Overview
Carbamic acid, hexamethylenedi-, bis(3-iodo-2-propynyl) ester (CAS 55406-56-9), with molecular formula C14H18I2N2O4 and molecular weight 531.94 g/mol. IUPAC: 3-iodoprop-2-ynyl N-[6-(3-iodoprop-2-ynoxycarbonylamino)hexyl]carbamate.
Chemical Property Profile of Carbamic acid, hexamethylenedi-, bis(3-iodo-2-propynyl) ester
Property Insights of Carbamic acid, hexamethylenedi-, bis(3-iodo-2-propynyl) ester
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamic acid, hexamethylenedi-, bis(3-iodo-2-propynyl) ester. The TPSA of 76.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamic acid, hexamethylenedi-, bis(3-iodo-2-propynyl) ester. Following Lipinski's Rule of Five, Carbamic acid, hexamethylenedi-, bis(3-iodo-2-propynyl) ester has 2 hydrogen bond donor(s) and 4 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, hexamethylenedi-, bis(3-iodo-2-propynyl) ester?
The CAS number of Carbamic acid, hexamethylenedi-, bis(3-iodo-2-propynyl) ester is 55406-56-9.
What is the molecular formula of Carbamic acid, hexamethylenedi-, bis(3-iodo-2-propynyl) ester?
The molecular formula of Carbamic acid, hexamethylenedi-, bis(3-iodo-2-propynyl) ester is C14H18I2N2O4.
What is the molecular weight of Carbamic acid, hexamethylenedi-, bis(3-iodo-2-propynyl) ester?
The molecular weight of Carbamic acid, hexamethylenedi-, bis(3-iodo-2-propynyl) ester is 531.94 g/mol.
Where can I buy Carbamic acid, hexamethylenedi-, bis(3-iodo-2-propynyl) ester?
You can request a quote for Carbamic acid, hexamethylenedi-, bis(3-iodo-2-propynyl) 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, hexamethylenedi-, bis(3-iodo-2-propynyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, hexamethylenedi-, bis(3-iodo-2-propynyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.