RefChem:1071619
TL;DR: RefChem:1071619 (CAS 143667-51-0) is a chemical compound with molecular formula C28H29N5O7S and molecular weight 579.1788 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,5R,6R)-6-[[2-[[(2E)-2-[(4-hydroxy-3-prop-2-enylbenzoyl)hydrazinylidene]acetyl]amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Also Known As: 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-6-((((((4-hydroxy-3-(2-propenyl)benzoyl)hydrazono)acetyl)amino)phenylacetyl)amino)-7-oxo-, (2S-(2-alpha,5-alpha,6-beta(S*)))-, (2S,5R,6R)-6-{2-[2-({[4-hydroxy-3-(prop-2-en-1-yl)phenyl]formamido}imino)acetamido]-2-phenylacetamido}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6alpha-[[[[[2-[4-Hydroxy-3-allylbenzoyl]hydrazono]acetyl]amino]phenylacetyl]amino]penicillanic acid
Technical Specifications
| Molecular Formula | C28H29N5O7S |
| Molecular Weight | 579.1788 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 203.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 579.1788 Da |
| Heavy Atoms | 41 |
| Complexity | 1090.0 |
| SMILES | CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(C3=CC=CC=C3)NC(=O)/C=N/NC(=O)C4=CC(=C(C=C4)O)CC=C)C(=O)O)C |
| InChIKey | ZHXCMYBPMIJECL-ZKRHRMEXSA-N |
Chemical Property Profile of RefChem:1071619
Property Insights of RefChem:1071619
The XLogP value of 3.5 indicates that RefChem:1071619 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 203.0 Ų indicates high polarity, suggesting RefChem:1071619 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1071619 has 5 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:1071619?
The CAS number of RefChem:1071619 is 143667-51-0.
What is the molecular formula of RefChem:1071619?
The molecular formula of RefChem:1071619 is C28H29N5O7S.
What is the molecular weight of RefChem:1071619?
The molecular weight of RefChem:1071619 is 579.1788 g/mol.
Where can I buy RefChem:1071619?
You can request a quote for RefChem:1071619 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1071619?
Yes, CoreyChem provides custom synthesis services for RefChem:1071619 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.