Carbanilic acid, p-methoxy-, 4-iodo-2-butynyl ester
TL;DR: Carbanilic acid, p-methoxy-, 4-iodo-2-butynyl ester (CAS 14313-51-0) is a chemical compound with molecular formula C12H12INO3 and molecular weight 344.98618 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-iodobut-2-ynyl N-(4-methoxyphenyl)carbamate
Also Known As: 4-Iodo-2-butynyl p-methoxycarbanilate, 4-iodobut-2-ynyl N-(4-methoxyphenyl)carbamate, p-Methoxycarbanilic acid 4-iodo-2-butynyl ester, CARBANILIC ACID, p-METHOXY-, 4-IODO-2-BUTYNYL ESTER, 4-Methoxyphenylcarbamic acid 4-iodo-2-butynyl ester
Technical Specifications
| Molecular Formula | C12H12INO3 |
| Molecular Weight | 344.98618 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 47.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 344.98618 Da |
| Heavy Atoms | 17 |
| Complexity | 299.0 |
| SMILES | COC1=CC=C(C=C1)NC(=O)OCC#CCI |
| InChIKey | HLSLTRJZIMUVRV-UHFFFAOYSA-N |
Chemical Property Profile of Carbanilic acid, p-methoxy-, 4-iodo-2-butynyl ester
Property Insights of Carbanilic acid, p-methoxy-, 4-iodo-2-butynyl ester
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbanilic acid, p-methoxy-, 4-iodo-2-butynyl ester. With a topological polar surface area (TPSA) of 47.6 Ų, Carbanilic acid, p-methoxy-, 4-iodo-2-butynyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbanilic acid, p-methoxy-, 4-iodo-2-butynyl ester has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Carbanilic acid, p-methoxy-, 4-iodo-2-butynyl ester?
The CAS number of Carbanilic acid, p-methoxy-, 4-iodo-2-butynyl ester is 14313-51-0.
What is the molecular formula of Carbanilic acid, p-methoxy-, 4-iodo-2-butynyl ester?
The molecular formula of Carbanilic acid, p-methoxy-, 4-iodo-2-butynyl ester is C12H12INO3.
What is the molecular weight of Carbanilic acid, p-methoxy-, 4-iodo-2-butynyl ester?
The molecular weight of Carbanilic acid, p-methoxy-, 4-iodo-2-butynyl ester is 344.98618 g/mol.
Where can I buy Carbanilic acid, p-methoxy-, 4-iodo-2-butynyl ester?
You can request a quote for Carbanilic acid, p-methoxy-, 4-iodo-2-butynyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Carbanilic acid, p-methoxy-, 4-iodo-2-butynyl ester?
Yes, CoreyChem provides custom synthesis services for Carbanilic acid, p-methoxy-, 4-iodo-2-butynyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.