Carbolbicin
TL;DR: Carbolbicin (CAS 5421-10-3) is a chemical compound with molecular formula C27H29NO11 and molecular weight 543.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2R,4S)-4-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylic acid
Also Known As: Carbolbicin, 10-Carboxy-13-deoxycarminomycin, 10-Carboxy-13-deoxocarminomycin, D788-1, KST-1A0137
| Molecular Formula | C27H29NO11 |
|---|---|
| Molecular Weight | 543.17 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 217.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 4 |
| Exact Mass | 543.1741 |
| Heavy Atoms | 39 |
| Complexity | 993.0 |
Chemical Identifiers
| CAS Number | 5421-10-3 |
|---|---|
| SMILES | CC[C@]1(C[C@@H](C2=C([C@H]1C(=O)O)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4O)O)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)N)O |
| InChIKey | MMYTYGXIKKVLES-AGMCFEMXSA-N |
Product Overview
Carbolbicin (CAS 5421-10-3), with molecular formula C27H29NO11 and molecular weight 543.17 g/mol. IUPAC: (1R,2R,4S)-4-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylic acid.
Chemical Property Profile of Carbolbicin
Property Insights of Carbolbicin
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbolbicin. The TPSA of 217.0 Ų indicates high polarity, suggesting Carbolbicin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Carbolbicin has 7 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Carbolbicin?
The CAS number of Carbolbicin is 5421-10-3.
What is the molecular formula of Carbolbicin?
The molecular formula of Carbolbicin is C27H29NO11.
What is the molecular weight of Carbolbicin?
The molecular weight of Carbolbicin is 543.17 g/mol.
Where can I buy Carbolbicin?
You can request a quote for Carbolbicin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbolbicin?
Yes, KEHONG BIO provides custom synthesis services for Carbolbicin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.