RefChem:1099162
TL;DR: RefChem:1099162 (CAS 57-49-8) is a chemical compound with molecular formula C23H33N3O6S and molecular weight 479.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[1-(4-hydroxy-4-phenylpiperidin-1-yl)propan-2-yl]-N-phenylcarbamate;sulfamic acid
Also Known As: 1,3,4,5,6-pentahydroxyl-2-hexanone, Carbanilic acid, N-(2-(4-hydroxy-4-phenylpiperidino)-1-methyl)ethyl-, ethyl ester, sulfamate, sulfamic acid- ethyl[1-(4-hydroxy-4-phenylpiperidin-1-yl)propan-2-yl]phenylcarbamate(1:1), ETHYLN-[1-(4-HYDROXY-4-PHENYLPIPERIDIN-1-YL)PROPAN-2-YL]-N-PHENYLCARBAMATE;SULFAMIC ACID, CARBANILIC ACID, N-(2-(4-HYDROXY-4-PHENYLPIPERIDINO)-1-METHYL)ETHYL-, ETHYL ESTE
| Molecular Formula | C23H33N3O6S |
|---|---|
| Molecular Weight | 479.21 g/mol |
| LogP | 2.77 |
| Topological Polar Surface Area | 142.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 479.209 |
| Heavy Atoms | 33 |
| Complexity | 571.0 |
Chemical Identifiers
| CAS Number | 57-49-8 |
|---|---|
| SMILES | CCOC(=O)N(C1=CC=CC=C1)C(C)CN2CCC(CC2)(C3=CC=CC=C3)O.NS(=O)(=O)O |
| InChIKey | WTBBQSREXFAQOR-UHFFFAOYSA-N |
Product Overview
RefChem:1099162 (CAS 57-49-8), with molecular formula C23H33N3O6S and molecular weight 479.21 g/mol. IUPAC: ethyl N-[1-(4-hydroxy-4-phenylpiperidin-1-yl)propan-2-yl]-N-phenylcarbamate;sulfamic acid.
Chemical Property Profile of RefChem:1099162
Property Insights of RefChem:1099162
The XLogP value of 2.77 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1099162. The TPSA of 142.0 Ų indicates high polarity, suggesting RefChem:1099162 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1099162 has 3 hydrogen bond donor(s) and 8 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 RefChem:1099162?
The CAS number of RefChem:1099162 is 57-49-8.
What is the molecular formula of RefChem:1099162?
The molecular formula of RefChem:1099162 is C23H33N3O6S.
What is the molecular weight of RefChem:1099162?
The molecular weight of RefChem:1099162 is 479.21 g/mol.
Where can I buy RefChem:1099162?
You can request a quote for RefChem:1099162 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1099162?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1099162 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.