Cephabacin M1
TL;DR: Cephabacin M1 (CAS 99332-96-4) is a chemical compound with molecular formula C31H50N8O13S and molecular weight 774.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6R,7S)-7-[[(5R)-5-amino-5-carboxypentanoyl]amino]-3-[[6-amino-4-[[(2S)-1-[[(2S)-2,5-diaminopentanoyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-6-oxohexanoyl]oxymethyl]-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: Cephabacin M1, Cephabacin M(sub 1), (6R,7S)-3-[[6-amino-4-[[(2S)-1-[[(2S)-2,5-diaminopentanoyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-6-oxohexanoyl]oxymethyl]-7-[[(5R)-5-amino-6-hydroxy-6-oxohexanoyl]amino]-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, (6R,7S)-7-[[(5R)-5-amino-5-carboxypentanoyl]amino]-3-[[6-amino-4-[[(2S)-1-[[(2S)-2,5-diaminopentanoyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-6-oxohexanoyl]oxymethyl]-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, (7S)-7-[[(R)-5-Amino-5-Carboxy-1-Oxopentyl]Amino]-7-Methoxy-3-[[[6-Amino-3-Hydroxy-4-(L-Ornithyl-L-V
| Molecular Formula | C31H50N8O13S |
|---|---|
| Molecular Weight | 774.32 g/mol |
| LogP | -3.8573 |
| Topological Polar Surface Area | 359.12 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 23 |
| Exact Mass | 774.3218 |
| Heavy Atoms | 53 |
| Complexity | 1445.8855 |
Chemical Identifiers
| CAS Number | 99332-96-4 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)NC(=O)[C@H](CCCN)N)NC(CC(=O)N)C(CC(=O)OCC1=C(N2[C@@H]([C@@](C2=O)(NC(=O)CCC[C@H](C(=O)O)N)OC)SC1)C(=O)O)O |
Product Overview
Cephabacin M1 (CAS 99332-96-4), with molecular formula C31H50N8O13S and molecular weight 774.32 g/mol. IUPAC: (6R,7S)-7-[[(5R)-5-amino-5-carboxypentanoyl]amino]-3-[[6-amino-4-[[(2S)-1-[[(2S)-2,5-diaminopentanoyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-6-oxohexanoyl]oxymethyl]-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.
Chemical Property Profile of Cephabacin M1
Property Insights of Cephabacin M1
The XLogP value of -3.8573 indicates that Cephabacin M1 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 359.12 Ų indicates high polarity, suggesting Cephabacin M1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cephabacin M1 has 10 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cephabacin M1?
The CAS number of Cephabacin M1 is 99332-96-4.
What is the molecular formula of Cephabacin M1?
The molecular formula of Cephabacin M1 is C31H50N8O13S.
What is the molecular weight of Cephabacin M1?
The molecular weight of Cephabacin M1 is 774.32 g/mol.
Where can I buy Cephabacin M1?
You can request a quote for Cephabacin M1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cephabacin M1?
Yes, KEHONG BIO provides custom synthesis services for Cephabacin M1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.