Neocarzinostatin chromophore B
TL;DR: Neocarzinostatin chromophore B (CAS 79633-17-3) is a chemical compound with molecular formula C34H35NO11 and molecular weight 633.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(9E)-4-(1,2-dihydroxyethyl)-11-[4,5-dihydroxy-6-methyl-3-(methylamino)oxan-2-yl]oxy-5-oxatricyclo[8.3.0.04,6]trideca-1(13),9-dien-2,7-diyn-12-yl] 2-hydroxy-7-methoxy-5-methylnaphthalene-1-carboxylate
Also Known As: Neocarzinostatin chromophore B, 1-Naphthalenecarboxylic acid, 2-hydroxy-7-methoxy-5-methyl-, 2,3,8,9-tetradehydro-6-((2,6-dideoxy-2-(methylamino)-alpha-D-galactopyranosyl)oxy)-1a-(1,2-dihydroxyethyl)-1a,5,6,9a-tetrahydrocyclopenta(5,6)cyclonon(1,2-b)oxiren-5-yl ester, 1-NAPHTHALENECARBOXYLIC ACID 2-HYDROXY-7-METHOXY-5-METHYL-,2,3,8,9-T ETRADEHYDRO-6-((2,6-DIDEOXY-2-(METHYLAMINO)-A-D-GALACTOPYRANOSYL)O XY)-1A-(1,2-DIHYDROXYETHYL)-1A,5,6,9A-TETRAHYDROCYCLOPENTA(5,6)CYCLONO N[1,2-B]OXIREN-5-YL ESTER
| Molecular Formula | C34H35NO11 |
|---|---|
| Molecular Weight | 633.22 g/mol |
| LogP | 0.20522 |
| Topological Polar Surface Area | 179.7 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 633.221 |
| Heavy Atoms | 46 |
| Complexity | 1746.1615 |
Chemical Identifiers
| CAS Number | 79633-17-3 |
|---|---|
| SMILES | CC1C(C(C(C(O1)OC\2C(C=C3/C2=C\C#CC4C(O4)(C#C3)C(CO)O)OC(=O)C5=C(C=CC6=C5C=C(C=C6C)OC)O)NC)O)O |
Product Overview
Neocarzinostatin chromophore B (CAS 79633-17-3), with molecular formula C34H35NO11 and molecular weight 633.22 g/mol. IUPAC: [(9E)-4-(1,2-dihydroxyethyl)-11-[4,5-dihydroxy-6-methyl-3-(methylamino)oxan-2-yl]oxy-5-oxatricyclo[8.3.0.04,6]trideca-1(13),9-dien-2,7-diyn-12-yl] 2-hydroxy-7-methoxy-5-methylnaphthalene-1-carboxylate.
Chemical Property Profile of Neocarzinostatin chromophore B
Property Insights of Neocarzinostatin chromophore B
The XLogP value of 0.20522 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Neocarzinostatin chromophore B. The TPSA of 179.7 Ų indicates high polarity, suggesting Neocarzinostatin chromophore B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Neocarzinostatin chromophore B has 6 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 Neocarzinostatin chromophore B?
The CAS number of Neocarzinostatin chromophore B is 79633-17-3.
What is the molecular formula of Neocarzinostatin chromophore B?
The molecular formula of Neocarzinostatin chromophore B is C34H35NO11.
What is the molecular weight of Neocarzinostatin chromophore B?
The molecular weight of Neocarzinostatin chromophore B is 633.22 g/mol.
Where can I buy Neocarzinostatin chromophore B?
You can request a quote for Neocarzinostatin chromophore B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Neocarzinostatin chromophore B?
Yes, KEHONG BIO provides custom synthesis services for Neocarzinostatin chromophore B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.