Heptane-2,4-diyl bis(hydrogen carbonimidate)
TL;DR: Heptane-2,4-diyl bis(hydrogen carbonimidate) (CAS 63834-26-4) is a chemical compound with molecular formula C9H18N2O4 and molecular weight 218.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-carbamoyloxyheptan-2-yl carbamate
Also Known As: 2,4-Bis(carbamoyloxy)heptane, 2,4-Heptanediol dicarbamate, 2,4-HEPTANEDIOL, DICARBAMATE, 4-carbamoyloxyheptan-2-yl carbamate, 2-(carbamoyloxy)heptan-4-yl carbamate
| Molecular Formula | C9H18N2O4 |
|---|---|
| Molecular Weight | 218.13 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 218.12666 |
| Heavy Atoms | 15 |
| Complexity | 220.0 |
Chemical Identifiers
| CAS Number | 63834-26-4 |
|---|---|
| SMILES | CCCC(CC(C)OC(=O)N)OC(=O)N |
| InChIKey | MEFAXPOIMLNACU-UHFFFAOYSA-N |
Product Overview
Heptane-2,4-diyl bis(hydrogen carbonimidate) (CAS 63834-26-4), with molecular formula C9H18N2O4 and molecular weight 218.13 g/mol. IUPAC: 4-carbamoyloxyheptan-2-yl carbamate.
Chemical Property Profile of Heptane-2,4-diyl bis(hydrogen carbonimidate)
Property Insights of Heptane-2,4-diyl bis(hydrogen carbonimidate)
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Heptane-2,4-diyl bis(hydrogen carbonimidate). The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Heptane-2,4-diyl bis(hydrogen carbonimidate). Following Lipinski's Rule of Five, Heptane-2,4-diyl bis(hydrogen carbonimidate) has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Heptane-2,4-diyl bis(hydrogen carbonimidate)?
The CAS number of Heptane-2,4-diyl bis(hydrogen carbonimidate) is 63834-26-4.
What is the molecular formula of Heptane-2,4-diyl bis(hydrogen carbonimidate)?
The molecular formula of Heptane-2,4-diyl bis(hydrogen carbonimidate) is C9H18N2O4.
What is the molecular weight of Heptane-2,4-diyl bis(hydrogen carbonimidate)?
The molecular weight of Heptane-2,4-diyl bis(hydrogen carbonimidate) is 218.13 g/mol.
Where can I buy Heptane-2,4-diyl bis(hydrogen carbonimidate)?
You can request a quote for Heptane-2,4-diyl bis(hydrogen carbonimidate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heptane-2,4-diyl bis(hydrogen carbonimidate)?
Yes, KEHONG BIO provides custom synthesis services for Heptane-2,4-diyl bis(hydrogen carbonimidate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.