methyl N-(2-iodo-1,2,3,4-tetrahydronaphthalen-1-yl)carbamate
TL;DR: methyl N-(2-iodo-1,2,3,4-tetrahydronaphthalen-1-yl)carbamate (CAS 1429-82-9) is a chemical compound with molecular formula C12H14INO2 and molecular weight 331.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-(2-iodo-1,2,3,4-tetrahydronaphthalen-1-yl)carbamate
Also Known As: NCIOpen2_008634, methyl(2-iodo-1,2,3,4-tetrahydronaphthalen-1-yl)carbamate, trans-2-Iod-1-tetralin-(1)-carbaminsaeuremethylester, methyl N-(2-iodo-1,2,3,4-tetrahydronaphthalen-1-yl)carbamate, methyl (2-iodo-1,2,3,4-tetrahydronaphthalen-1-yl)carbamate
| Molecular Formula | C12H14INO2 |
|---|---|
| Molecular Weight | 331.01 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 331.00693 |
| Heavy Atoms | 16 |
| Complexity | 259.0 |
Chemical Identifiers
| CAS Number | 1429-82-9 |
|---|---|
| SMILES | COC(=O)NC1C(CCC2=CC=CC=C12)I |
| InChIKey | FUMDWBGYZTWGQC-UHFFFAOYSA-N |
Product Overview
methyl N-(2-iodo-1,2,3,4-tetrahydronaphthalen-1-yl)carbamate (CAS 1429-82-9), with molecular formula C12H14INO2 and molecular weight 331.01 g/mol. IUPAC: methyl N-(2-iodo-1,2,3,4-tetrahydronaphthalen-1-yl)carbamate.
Chemical Property Profile of methyl N-(2-iodo-1,2,3,4-tetrahydronaphthalen-1-yl)carbamate
Property Insights of methyl N-(2-iodo-1,2,3,4-tetrahydronaphthalen-1-yl)carbamate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl N-(2-iodo-1,2,3,4-tetrahydronaphthalen-1-yl)carbamate. With a topological polar surface area (TPSA) of 38.3 Ų, methyl N-(2-iodo-1,2,3,4-tetrahydronaphthalen-1-yl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl N-(2-iodo-1,2,3,4-tetrahydronaphthalen-1-yl)carbamate has 1 hydrogen bond donor(s) and 2 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 methyl N-(2-iodo-1,2,3,4-tetrahydronaphthalen-1-yl)carbamate?
The CAS number of methyl N-(2-iodo-1,2,3,4-tetrahydronaphthalen-1-yl)carbamate is 1429-82-9.
What is the molecular formula of methyl N-(2-iodo-1,2,3,4-tetrahydronaphthalen-1-yl)carbamate?
The molecular formula of methyl N-(2-iodo-1,2,3,4-tetrahydronaphthalen-1-yl)carbamate is C12H14INO2.
What is the molecular weight of methyl N-(2-iodo-1,2,3,4-tetrahydronaphthalen-1-yl)carbamate?
The molecular weight of methyl N-(2-iodo-1,2,3,4-tetrahydronaphthalen-1-yl)carbamate is 331.01 g/mol.
Where can I buy methyl N-(2-iodo-1,2,3,4-tetrahydronaphthalen-1-yl)carbamate?
You can request a quote for methyl N-(2-iodo-1,2,3,4-tetrahydronaphthalen-1-yl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl N-(2-iodo-1,2,3,4-tetrahydronaphthalen-1-yl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for methyl N-(2-iodo-1,2,3,4-tetrahydronaphthalen-1-yl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.