Safracin B
TL;DR: Safracin B (CAS 82029-27-4) is a chemical compound with molecular formula C28H36N4O7 and molecular weight 540.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-amino-N-[[(1S,2S,10R,12S,13R)-12,19-dihydroxy-7,18-dimethoxy-6,17,21-trimethyl-5,8-dioxo-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),6,15(20),16,18-pentaen-10-yl]methyl]propanamide
Also Known As: Safracin B, Antibiotic EM 5519, Antibiotic Y 16482alpha, Antibiotic Y 16482-alpha, EM 5519
| Molecular Formula | C28H36N4O7 |
|---|---|
| Molecular Weight | 540.26 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 155.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 540.2584 |
| Heavy Atoms | 39 |
| Complexity | 1120.0 |
Chemical Identifiers
| CAS Number | 82029-27-4 |
|---|---|
| SMILES | CC1=CC2=C([C@H]3[C@@H]4CC5=C([C@@H](N4[C@H]([C@@H](C2)N3C)O)CNC(=O)[C@H](C)N)C(=O)C(=C(C5=O)C)OC)C(=C1OC)O |
| InChIKey | GKUZBRIJGIGFKC-XPXFATIHSA-N |
Product Overview
Safracin B (CAS 82029-27-4), with molecular formula C28H36N4O7 and molecular weight 540.26 g/mol. IUPAC: (2S)-2-amino-N-[[(1S,2S,10R,12S,13R)-12,19-dihydroxy-7,18-dimethoxy-6,17,21-trimethyl-5,8-dioxo-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),6,15(20),16,18-pentaen-10-yl]methyl]propanamide.
Chemical Property Profile of Safracin B
Property Insights of Safracin B
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Safracin B. The TPSA of 155.0 Ų indicates high polarity, suggesting Safracin B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Safracin B has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Safracin B?
The CAS number of Safracin B is 82029-27-4.
What is the molecular formula of Safracin B?
The molecular formula of Safracin B is C28H36N4O7.
What is the molecular weight of Safracin B?
The molecular weight of Safracin B is 540.26 g/mol.
Where can I buy Safracin B?
You can request a quote for Safracin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Safracin B?
Yes, KEHONG BIO provides custom synthesis services for Safracin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.