烬灰红菌素 B
TL;DR: 烬灰红菌素 B (CAS 35906-51-5) is a chemical compound with molecular formula C42H51NO16 and molecular weight 825.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
烬灰红菌素 B
methyl (1R,2R,4S)-4-[(2R,4S,5S,6S)-4-(dimethylamino)-5-[[(1R,3R,5S,8S,10S,12S,14S)-5,14-dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo[8.4.0.03,8]tetradecan-12-yl]oxy]-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7,10-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
Also Known As: Cinerubin B, Cinerubine B, Tauromycetin-III, Tavromycetin III, Spartanamicin A
| Molecular Formula | C42H51NO16 |
|---|---|
| Molecular Weight | 825.32 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 226.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 8 |
| Exact Mass | 825.3208 |
| Heavy Atoms | 59 |
| Complexity | 1610.0 |
Chemical Identifiers
| CAS Number | 35906-51-5 |
|---|---|
| SMILES | CC[C@]1(C[C@@H](C2=C(C3=C(C=C2[C@H]1C(=O)OC)C(=O)C4=C(C=CC(=C4C3=O)O)O)O)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O[C@H]6C[C@H]7[C@@H]([C@@H](O6)C)O[C@H]8[C@@H](O7)CC(=O)[C@@H](O8)C)N(C)C)O |
| InChIKey | ZBDDFHXUDIPRSM-DQCCILMQSA-N |
Product Overview
烬灰红菌素 B (CAS 35906-51-5), with molecular formula C42H51NO16 and molecular weight 825.32 g/mol. IUPAC: methyl (1R,2R,4S)-4-[(2R,4S,5S,6S)-4-(dimethylamino)-5-[[(1R,3R,5S,8S,10S,12S,14S)-5,14-dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo[8.4.0.03,8]tetradecan-12-yl]oxy]-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7,10-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate.
Chemical Property Profile of 烬灰红菌素 B
Property Insights of 烬灰红菌素 B
The XLogP value of 4.0 indicates that 烬灰红菌素 B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 226.0 Ų indicates high polarity, suggesting 烬灰红菌素 B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 烬灰红菌素 B has 4 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 烬灰红菌素 B?
The CAS number of 烬灰红菌素 B is 35906-51-5.
What is the molecular formula of 烬灰红菌素 B?
The molecular formula of 烬灰红菌素 B is C42H51NO16.
What is the molecular weight of 烬灰红菌素 B?
The molecular weight of 烬灰红菌素 B is 825.32 g/mol.
Where can I buy 烬灰红菌素 B?
You can request a quote for 烬灰红菌素 B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 烬灰红菌素 B?
Yes, KEHONG BIO provides custom synthesis services for 烬灰红菌素 B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.