Safracin A
TL;DR: Safracin A (CAS 87578-98-1) is a chemical compound with molecular formula C28H36N4O6 and molecular weight 524.26 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,13R)-19-hydroxy-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 A, Y-16482-B'', Y-16760, (2S)-2-Amino-N-[[(1S,2S,10R,13R)-19-hydroxy-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, (2S)-2-Amino-N-{[(6R,9R,14aS,15S)-1-hydroxy-2,11-dimethoxy-3,12,16-trimethyl-10,13-dioxo-6,7,9,10,13,14,14a,15-octahydro-5H-6,15-epiminoisoquinolino[3,2-b][3]benzazocin-9-yl]methyl}propanimidic acid
| Molecular Formula | C28H36N4O6 |
|---|---|
| Molecular Weight | 524.26 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 134.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 524.2635 |
| Heavy Atoms | 38 |
| Complexity | 1090.0 |
Chemical Identifiers
| CAS Number | 87578-98-1 |
|---|---|
| SMILES | CC1=CC2=C([C@H]3[C@@H]4CC5=C([C@@H](N4C[C@@H](C2)N3C)CNC(=O)[C@H](C)N)C(=O)C(=C(C5=O)C)OC)C(=C1OC)O |
| InChIKey | AZDDAJXLYMVMAW-BVFBRMCBSA-N |
Product Overview
Safracin A (CAS 87578-98-1), with molecular formula C28H36N4O6 and molecular weight 524.26 g/mol. IUPAC: (2S)-2-amino-N-[[(1S,2S,10R,13R)-19-hydroxy-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 A
Property Insights of Safracin A
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Safracin A. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Safracin A. Following Lipinski's Rule of Five, Safracin A 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 Safracin A?
The CAS number of Safracin A is 87578-98-1.
What is the molecular formula of Safracin A?
The molecular formula of Safracin A is C28H36N4O6.
What is the molecular weight of Safracin A?
The molecular weight of Safracin A is 524.26 g/mol.
Where can I buy Safracin A?
You can request a quote for Safracin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Safracin A?
Yes, KEHONG BIO provides custom synthesis services for Safracin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.