Hre 664
TL;DR: Hre 664 (CAS 105275-74-9) is a chemical compound with molecular formula C15H14N2O6S and molecular weight 350.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5R,6S)-3-(4-carbamoylphenoxy)-6-[(1R)-1-hydroxyethyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
Also Known As: Hre 664, (5R,6S)-3-(4-carbamoylphenoxy)-6-[(1R)-1-hydroxyethyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 3-(4-Carbamoylphenoxy)-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo(3,2,0)hept-2-ene-2-carboxylate, 4-Thia-1-azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 3-(4-(aminocarbonyl)phenoxy)-6-(1-hydroxyethyl)-7-oxo-, (5R-(5alpha,6alpha(R*)))-, 3-(4-carbamoylphenoxy)-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
| Molecular Formula | C15H14N2O6S |
|---|---|
| Molecular Weight | 350.06 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 155.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 350.05725 |
| Heavy Atoms | 24 |
| Complexity | 613.0 |
Chemical Identifiers
| CAS Number | 105275-74-9 |
|---|---|
| SMILES | C[C@H]([C@@H]1[C@@H]2N(C1=O)C(=C(S2)OC3=CC=C(C=C3)C(=O)N)C(=O)O)O |
| InChIKey | MVTIDDWEBUVRRW-XIDCRBKBSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hre 664 (CAS 105275-74-9), with molecular formula C15H14N2O6S and molecular weight 350.06 g/mol. IUPAC: (5R,6S)-3-(4-carbamoylphenoxy)-6-[(1R)-1-hydroxyethyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid.
Chemical Property Profile of Hre 664
Property Insights of Hre 664
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hre 664. The TPSA of 155.0 Ų indicates high polarity, suggesting Hre 664 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Hre 664 has 3 hydrogen bond donor(s) and 7 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 Hre 664?
The CAS number of Hre 664 is 105275-74-9.
What is the molecular formula of Hre 664?
The molecular formula of Hre 664 is C15H14N2O6S.
What is the molecular weight of Hre 664?
The molecular weight of Hre 664 is 350.06 g/mol.
Where can I buy Hre 664?
You can request a quote for Hre 664 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hre 664?
Yes, KEHONG BIO provides custom synthesis services for Hre 664 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.