Dimethyl (adamantane-1,3-diylbis(methylene))dicarbamate
TL;DR: Dimethyl (adamantane-1,3-diylbis(methylene))dicarbamate (CAS 56432-98-5) is a chemical compound with molecular formula C16H26N2O4 and molecular weight 310.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-[[3-[(methoxycarbonylamino)methyl]-1-adamantyl]methyl]carbamate
Also Known As: Dimethyl (adamantane-1,3-diylbis(methylene))dicarbamate, dimethyl ((1s,3s,5r,7r)-adamantane-1,3-diylbis(methylene))dicarbamate, dimethyl (tricyclo[3.3.1.1~3,7~]decane-1,3-diyldimethanediyl)biscarbamate, methyl N-[[3-[(methoxycarbonylamino)methyl]-1-adamantyl]methyl]carbamate, N/A
| Molecular Formula | C16H26N2O4 |
|---|---|
| Molecular Weight | 310.19 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 76.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 310.18927 |
| Heavy Atoms | 22 |
| Complexity | 413.0 |
Chemical Identifiers
| CAS Number | 56432-98-5 |
|---|---|
| SMILES | COC(=O)NCC12CC3CC(C1)CC(C3)(C2)CNC(=O)OC |
| InChIKey | XBZQLLQVHSRCIO-UHFFFAOYSA-N |
Product Overview
Dimethyl (adamantane-1,3-diylbis(methylene))dicarbamate (CAS 56432-98-5), with molecular formula C16H26N2O4 and molecular weight 310.19 g/mol. IUPAC: methyl N-[[3-[(methoxycarbonylamino)methyl]-1-adamantyl]methyl]carbamate.
Chemical Property Profile of Dimethyl (adamantane-1,3-diylbis(methylene))dicarbamate
Property Insights of Dimethyl (adamantane-1,3-diylbis(methylene))dicarbamate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl (adamantane-1,3-diylbis(methylene))dicarbamate. The TPSA of 76.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl (adamantane-1,3-diylbis(methylene))dicarbamate. Following Lipinski's Rule of Five, Dimethyl (adamantane-1,3-diylbis(methylene))dicarbamate 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 Dimethyl (adamantane-1,3-diylbis(methylene))dicarbamate?
The CAS number of Dimethyl (adamantane-1,3-diylbis(methylene))dicarbamate is 56432-98-5.
What is the molecular formula of Dimethyl (adamantane-1,3-diylbis(methylene))dicarbamate?
The molecular formula of Dimethyl (adamantane-1,3-diylbis(methylene))dicarbamate is C16H26N2O4.
What is the molecular weight of Dimethyl (adamantane-1,3-diylbis(methylene))dicarbamate?
The molecular weight of Dimethyl (adamantane-1,3-diylbis(methylene))dicarbamate is 310.19 g/mol.
Where can I buy Dimethyl (adamantane-1,3-diylbis(methylene))dicarbamate?
You can request a quote for Dimethyl (adamantane-1,3-diylbis(methylene))dicarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl (adamantane-1,3-diylbis(methylene))dicarbamate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl (adamantane-1,3-diylbis(methylene))dicarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.