2,2-Dichloro-3-hydroxy-3-phenylpropyl hydrogen carbonimidate
TL;DR: 2,2-Dichloro-3-hydroxy-3-phenylpropyl hydrogen carbonimidate (CAS 1211-00-3) is a chemical compound with molecular formula C10H11Cl2NO3 and molecular weight 263.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,2-dichloro-3-hydroxy-3-phenylpropyl) carbamate
Also Known As: SQ 4909, (2,2-dichloro-3-hydroxy-3-phenylpropyl) carbamate, CARBAMIC ACID, 2,2-DICHLORO-3-HYDROXY-3-PHENYLPROPYL ESTER, 2,2-Dichloro-1-phenyl-1,3-propanediol 3-carbamate, 2,2-dichloro-3-hydroxy-3-phenylpropyl carbamate
| Molecular Formula | C10H11Cl2NO3 |
|---|---|
| Molecular Weight | 263.01 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 72.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 263.0116 |
| Heavy Atoms | 16 |
| Complexity | 242.0 |
Chemical Identifiers
| CAS Number | 1211-00-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C(COC(=O)N)(Cl)Cl)O |
| InChIKey | KIUGWPDQHKXJHE-UHFFFAOYSA-N |
Product Overview
2,2-Dichloro-3-hydroxy-3-phenylpropyl hydrogen carbonimidate (CAS 1211-00-3), with molecular formula C10H11Cl2NO3 and molecular weight 263.01 g/mol. IUPAC: (2,2-dichloro-3-hydroxy-3-phenylpropyl) carbamate.
Chemical Property Profile of 2,2-Dichloro-3-hydroxy-3-phenylpropyl hydrogen carbonimidate
Property Insights of 2,2-Dichloro-3-hydroxy-3-phenylpropyl hydrogen carbonimidate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Dichloro-3-hydroxy-3-phenylpropyl hydrogen carbonimidate. The TPSA of 72.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2-Dichloro-3-hydroxy-3-phenylpropyl hydrogen carbonimidate. Following Lipinski's Rule of Five, 2,2-Dichloro-3-hydroxy-3-phenylpropyl hydrogen carbonimidate has 2 hydrogen bond donor(s) and 3 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 2,2-Dichloro-3-hydroxy-3-phenylpropyl hydrogen carbonimidate?
The CAS number of 2,2-Dichloro-3-hydroxy-3-phenylpropyl hydrogen carbonimidate is 1211-00-3.
What is the molecular formula of 2,2-Dichloro-3-hydroxy-3-phenylpropyl hydrogen carbonimidate?
The molecular formula of 2,2-Dichloro-3-hydroxy-3-phenylpropyl hydrogen carbonimidate is C10H11Cl2NO3.
What is the molecular weight of 2,2-Dichloro-3-hydroxy-3-phenylpropyl hydrogen carbonimidate?
The molecular weight of 2,2-Dichloro-3-hydroxy-3-phenylpropyl hydrogen carbonimidate is 263.01 g/mol.
Where can I buy 2,2-Dichloro-3-hydroxy-3-phenylpropyl hydrogen carbonimidate?
You can request a quote for 2,2-Dichloro-3-hydroxy-3-phenylpropyl hydrogen carbonimidate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Dichloro-3-hydroxy-3-phenylpropyl hydrogen carbonimidate?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dichloro-3-hydroxy-3-phenylpropyl hydrogen carbonimidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.