Antibiotic tan-592B
TL;DR: Antibiotic tan-592B (CAS 99685-75-3) is a chemical compound with molecular formula C29H47ClN10O14S and molecular weight 826.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6R,7S)-7-[(5-amino-5-carboxypentanoyl)amino]-3-[[(4S)-4-[[(2R,3R,5S)-1,5-diamino-3,6-dihydroxy-1,4-dioxohexan-2-yl]amino]-7-(diaminomethylideneamino)-3-hydroxyheptanoyl]oxymethyl]-7-formamido-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydrochloride
Also Known As: Antibiotic tan-592B, Cephabacin F5 hydrochloride, TAN-592B, (6R,7S)-7-[(5-amino-5-carboxypentanoyl)amino]-3-[[(4S)-4-[[(2R,3R,5S)-1,5-diamino-3,6-dihydroxy-1,4-dioxohexan-2-yl]amino]-7-(diaminomethylideneamino)-3-hydroxyheptanoyl]oxymethyl]-7-formamido-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydrochloride, (6R,7S)-7-(5-amino-5-carboxypentanamido)-3-((((4S)-4-(((2R,3R,5S)-1,5-diamino-3,6-dihydroxy-1,4-dioxohexan-2-yl)amino)-7-guanidino-3-hydroxyheptanoyl)oxy)methyl)-7-formamido-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid hydrochloride
| Molecular Formula | C29H47ClN10O14S |
|---|---|
| Molecular Weight | 826.27 g/mol |
| LogP | -6.7878 |
| Topological Polar Surface Area | 428.73 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 25 |
| Exact Mass | 826.26825 |
| Heavy Atoms | 55 |
| Complexity | 1518.0353 |
Chemical Identifiers
| CAS Number | 99685-75-3 |
|---|---|
| SMILES | C1C(=C(N2[C@H](S1)[C@@](C2=O)(NC=O)NC(=O)CCCC(C(=O)O)N)C(=O)O)COC(=O)CC([C@H](CCCN=C(N)N)N[C@H]([C@H](C(=O)[C@H](CO)N)O)C(=O)N)O.Cl |
Product Overview
Antibiotic tan-592B (CAS 99685-75-3), with molecular formula C29H47ClN10O14S and molecular weight 826.27 g/mol. IUPAC: (6R,7S)-7-[(5-amino-5-carboxypentanoyl)amino]-3-[[(4S)-4-[[(2R,3R,5S)-1,5-diamino-3,6-dihydroxy-1,4-dioxohexan-2-yl]amino]-7-(diaminomethylideneamino)-3-hydroxyheptanoyl]oxymethyl]-7-formamido-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydrochloride.
Chemical Property Profile of Antibiotic tan-592B
Property Insights of Antibiotic tan-592B
The XLogP value of -6.7878 indicates that Antibiotic tan-592B is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 428.73 Ų indicates high polarity, suggesting Antibiotic tan-592B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Antibiotic tan-592B has 13 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Antibiotic tan-592B?
The CAS number of Antibiotic tan-592B is 99685-75-3.
What is the molecular formula of Antibiotic tan-592B?
The molecular formula of Antibiotic tan-592B is C29H47ClN10O14S.
What is the molecular weight of Antibiotic tan-592B?
The molecular weight of Antibiotic tan-592B is 826.27 g/mol.
Where can I buy Antibiotic tan-592B?
You can request a quote for Antibiotic tan-592B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Antibiotic tan-592B?
Yes, KEHONG BIO provides custom synthesis services for Antibiotic tan-592B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.