Serirubicin
TL;DR: Serirubicin (CAS 94593-72-3) is a chemical compound with molecular formula C60H80N2O21 and molecular weight 1164.53 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7,10-bis[[4-(dimethylamino)-5-[(5,14-dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo[8.4.0.03,8]tetradecan-12-yl)oxy]-6-methyloxan-2-yl]oxy]-9-ethyl-4,9,11-trihydroxy-8,10-dihydro-7H-tetracene-5,12-dione
Also Known As: Serirubicin, Cosmocarcin A, Antibiotic TMF 518C, 7,10-bis[[4-(dimethylamino)-5-[(5,14-dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo[8.4.0.03,8]tetradecan-12-yl)oxy]-6-methyloxan-2-yl]oxy]-9-ethyl-4,9,11-trihydroxy-8,10-dihydro-7H-tetracene-5,12-dione, Cytorhodin A, 4(sup C),4(sup F),6-trideoxy-2(sup C),3(sup B):2(sup F),3(sup F)-diepoxy-4(sup C),4(sup F)-dioxo-, (2(sup C)S,2(sup F)S,3(sup B)S,3(sup E)S)-
| Molecular Formula | C60H80N2O21 |
|---|---|
| Molecular Weight | 1164.53 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 265.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 23 |
| Rotatable Bonds | 11 |
| Exact Mass | 1164.5254 |
| Heavy Atoms | 83 |
| Complexity | 2370.0 |
Chemical Identifiers
| CAS Number | 94593-72-3 |
|---|---|
| SMILES | CCC1(CC(C2=CC3=C(C(=C2C1OC4CC(C(C(O4)C)OC5CC6C(C(O5)C)OC7C(O6)CC(=O)C(O7)C)N(C)C)O)C(=O)C8=C(C3=O)C(=CC=C8)O)OC9CC(C(C(O9)C)OC1CC2C(C(O1)C)OC1C(O2)CC(=O)C(O1)C)N(C)C)O |
| InChIKey | VDYRODQNFIGGDP-UHFFFAOYSA-N |
Product Overview
Serirubicin (CAS 94593-72-3), with molecular formula C60H80N2O21 and molecular weight 1164.53 g/mol. IUPAC: 7,10-bis[[4-(dimethylamino)-5-[(5,14-dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo[8.4.0.03,8]tetradecan-12-yl)oxy]-6-methyloxan-2-yl]oxy]-9-ethyl-4,9,11-trihydroxy-8,10-dihydro-7H-tetracene-5,12-dione.
Chemical Property Profile of Serirubicin
Property Insights of Serirubicin
The XLogP value of 4.5 indicates that Serirubicin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 265.0 Ų indicates high polarity, suggesting Serirubicin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Serirubicin has 3 hydrogen bond donor(s) and 23 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Serirubicin?
The CAS number of Serirubicin is 94593-72-3.
What is the molecular formula of Serirubicin?
The molecular formula of Serirubicin is C60H80N2O21.
What is the molecular weight of Serirubicin?
The molecular weight of Serirubicin is 1164.53 g/mol.
Where can I buy Serirubicin?
You can request a quote for Serirubicin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Serirubicin?
Yes, KEHONG BIO provides custom synthesis services for Serirubicin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.