Spectrobid
TL;DR: Spectrobid (CAS 39719-58-9) is a chemical compound with molecular formula C21H28ClN3O7S and molecular weight 501.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethoxycarbonyloxyethyl (2S,5R)-6-[[(2R)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate;hydrochloride
Also Known As: Spectrobid, Ambacamp, Penglobe, Velbacil, Ambaxin
| Molecular Formula | C21H28ClN3O7S |
|---|---|
| Molecular Weight | 501.13 g/mol |
| LogP | 1.72 |
| Topological Polar Surface Area | 163.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 501.13364 |
| Heavy Atoms | 33 |
| Complexity | 756.0 |
Chemical Identifiers
| CAS Number | 39719-58-9 |
|---|---|
| SMILES | CCOC(=O)OC(C)OC(=O)[C@H]1C(S[C@H]2N1C(=O)C2NC(=O)[C@@H](C3=CC=CC=C3)N)(C)C.Cl |
| InChIKey | IWVTXAGTHUECPN-WBELVDHVSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Spectrobid (CAS 39719-58-9), with molecular formula C21H28ClN3O7S and molecular weight 501.13 g/mol. IUPAC: 1-ethoxycarbonyloxyethyl (2S,5R)-6-[[(2R)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate;hydrochloride.
Chemical Property Profile of Spectrobid
Property Insights of Spectrobid
The XLogP value of 1.72 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Spectrobid. The TPSA of 163.0 Ų indicates high polarity, suggesting Spectrobid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Spectrobid has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Spectrobid?
The CAS number of Spectrobid is 39719-58-9.
What is the molecular formula of Spectrobid?
The molecular formula of Spectrobid is C21H28ClN3O7S.
What is the molecular weight of Spectrobid?
The molecular weight of Spectrobid is 501.13 g/mol.
Where can I buy Spectrobid?
You can request a quote for Spectrobid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Spectrobid?
Yes, KEHONG BIO provides custom synthesis services for Spectrobid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.