Cephabacin M6
TL;DR: Cephabacin M6 (CAS 99313-73-2) is a chemical compound with molecular formula C47H79N13O18S and molecular weight 1145.54 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[6-amino-4-[[2-[[5-amino-2-[[2-[[5-amino-2-[[2-(2-aminopropanoylamino)-3-hydroxypropanoyl]amino]pentanoyl]amino]-3-methylbutanoyl]amino]pentanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxy-6-oxohexanoyl]oxymethyl]-7-[(5-amino-5-carboxypentanoyl)amino]-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: Cephabacin M6, Cephabacin M(sub 6), L-Valinamide, L-alanyl-L-seryl-L-ornithyl-L-valyl-L-ornithyl-N-(4-((7-((5-amino-5-carboxyl-1-oxopentyl)amino)-2-carboxy-7-methoxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-3-en-3-yl)methoxy)-1-(2-amino-2-oxoethyl)-2-hydroxy-4-oxobutyl)-, (6R-(6-alpha,7-alpha,7(R*)))-, 3-[[6-amino-4-[[2-[[5-amino-2-[[2-[[5-amino-2-[[2-(2-aminopropanoylamino)-3-hydroxypropanoyl]amino]pentanoyl]amino]-3-methylbutanoyl]amino]pentanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxy-6-oxohexanoyl]oxymethyl]-7-[(5-amino-5-carboxypentanoyl)amino]-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-(5-amino-5-carboxypentanamido)-3-(24-amino-6-(2-amino-2-oxoethyl)-12,18-bis(3-aminopropyl)-5-hydroxy-21-(hydroxymethyl)-9,15-diisopropyl-3,8,11,14,17,20,23-heptaoxo-2-oxa-7,10,13,16,19,22-hexaazapentacosyl)-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
| Molecular Formula | C47H79N13O18S |
|---|---|
| Molecular Weight | 1145.54 g/mol |
| LogP | -6.511 |
| Topological Polar Surface Area | 521.77 Ų |
| Hydrogen Bond Donors | 16 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 36 |
| Exact Mass | 1145.5387 |
| Heavy Atoms | 79 |
| Complexity | 2255.1387 |
Chemical Identifiers
| CAS Number | 99313-73-2 |
|---|---|
| SMILES | CC(C)C(C(=O)NC(CCCN)C(=O)NC(C(C)C)C(=O)NC(CC(=O)N)C(CC(=O)OCC1=C(N2C(C(C2=O)(NC(=O)CCCC(C(=O)O)N)OC)SC1)C(=O)O)O)NC(=O)C(CCCN)NC(=O)C(CO)NC(=O)C(C)N |
Product Overview
Cephabacin M6 (CAS 99313-73-2), with molecular formula C47H79N13O18S and molecular weight 1145.54 g/mol. IUPAC: 3-[[6-amino-4-[[2-[[5-amino-2-[[2-[[5-amino-2-[[2-(2-aminopropanoylamino)-3-hydroxypropanoyl]amino]pentanoyl]amino]-3-methylbutanoyl]amino]pentanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxy-6-oxohexanoyl]oxymethyl]-7-[(5-amino-5-carboxypentanoyl)amino]-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.
Chemical Property Profile of Cephabacin M6
Property Insights of Cephabacin M6
The XLogP value of -6.511 indicates that Cephabacin M6 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 521.77 Ų indicates high polarity, suggesting Cephabacin M6 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cephabacin M6 has 16 hydrogen bond donor(s) and 21 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cephabacin M6?
The CAS number of Cephabacin M6 is 99313-73-2.
What is the molecular formula of Cephabacin M6?
The molecular formula of Cephabacin M6 is C47H79N13O18S.
What is the molecular weight of Cephabacin M6?
The molecular weight of Cephabacin M6 is 1145.54 g/mol.
Where can I buy Cephabacin M6?
You can request a quote for Cephabacin M6 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cephabacin M6?
Yes, KEHONG BIO provides custom synthesis services for Cephabacin M6 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.