Steffimycin B
TL;DR: Steffimycin B (CAS 54526-94-2) is a chemical compound with molecular formula C29H32O13 and molecular weight 588.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5,7-trihydroxy-4-(4-hydroxy-3,5-dimethoxy-6-methyloxan-2-yl)oxy-3,9-dimethoxy-2-methyl-3,4-dihydrotetracene-1,6,11-trione
Also Known As: Steffimycin B, NCI60_001720, 2,5,7-trihydroxy-4-(4-hydroxy-3,5-dimethoxy-6-methyloxan-2-yl)oxy-3,9-dimethoxy-2-methyl-3,4-dihydrotetracene-1,6,11-trione, NSC 204855, Steffimycin B, U 40615, (2S,3S,4R)-2,5,7-Trihydroxy-4-[(2S,3R,4R,5R,6S)-4-hydroxy-3,5-dimethoxy-6-methyloxan-2-yl]oxy-3,9-dimethoxy-2-methyl-3,4-dihydrotetracene-1,6,11-trione
| Molecular Formula | C29H32O13 |
|---|---|
| Molecular Weight | 588.18 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 188.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 6 |
| Exact Mass | 588.18427 |
| Heavy Atoms | 42 |
| Complexity | 1050.0 |
Chemical Identifiers
| CAS Number | 54526-94-2 |
|---|---|
| SMILES | CC1C(C(C(C(O1)OC2C(C(C(=O)C3=CC4=C(C(=C23)O)C(=O)C5=C(C4=O)C=C(C=C5O)OC)(C)O)OC)OC)O)OC |
| InChIKey | VHJWDTPKSIFZBV-UHFFFAOYSA-N |
Product Overview
Steffimycin B (CAS 54526-94-2), with molecular formula C29H32O13 and molecular weight 588.18 g/mol. IUPAC: 2,5,7-trihydroxy-4-(4-hydroxy-3,5-dimethoxy-6-methyloxan-2-yl)oxy-3,9-dimethoxy-2-methyl-3,4-dihydrotetracene-1,6,11-trione.
Chemical Property Profile of Steffimycin B
Property Insights of Steffimycin B
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Steffimycin B. The TPSA of 188.0 Ų indicates high polarity, suggesting Steffimycin B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Steffimycin B has 4 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Steffimycin B?
The CAS number of Steffimycin B is 54526-94-2.
What is the molecular formula of Steffimycin B?
The molecular formula of Steffimycin B is C29H32O13.
What is the molecular weight of Steffimycin B?
The molecular weight of Steffimycin B is 588.18 g/mol.
Where can I buy Steffimycin B?
You can request a quote for Steffimycin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Steffimycin B?
Yes, KEHONG BIO provides custom synthesis services for Steffimycin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.