Ansamycin: Rifamycin derivative LM112
TL;DR: Ansamycin: Rifamycin derivative LM112 (CAS 79855-04-2) is a chemical compound with molecular formula C44H51N3O11 and molecular weight 797.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(9E,19E,21Z)-2,15,17,32-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-28-phenyl-8,33-dioxa-24,27,29-triazapentacyclo[23.6.1.14,7.05,31.026,30]tritriaconta-1(31),2,4,9,19,21,25(32),26(30),28-nonaen-13-yl] acetate
Also Known As: Ansamycin: Rifamycin derivative LM112, [(9Z,19E,21Z)-2,15,17,32-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-28-phenyl-8,33-dioxa-24,27,29-triazapentacyclo[23.6.1.14,7.05,31.026,30]tritriaconta-1(31),2,4,9,19,21,25(32),26(30),28-nonaen-13-yl] acetate
| Molecular Formula | C44H51N3O11 |
|---|---|
| Molecular Weight | 797.35 g/mol |
| LogP | 6.59182 |
| Topological Polar Surface Area | 209.76 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 3 |
| Exact Mass | 797.35236 |
| Heavy Atoms | 58 |
| Complexity | 2349.1987 |
Chemical Identifiers
| CAS Number | 79855-04-2 |
|---|---|
| SMILES | CC1/C=C/C=C(\C(=O)NC2=C(C3=C(C4=C(C(=C3O)C)OC(C4=O)(O/C=C/C(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C5=C2NC(=N5)C6=CC=CC=C6)O)/C |
Product Overview
Ansamycin: Rifamycin derivative LM112 (CAS 79855-04-2), with molecular formula C44H51N3O11 and molecular weight 797.35 g/mol. IUPAC: [(9E,19E,21Z)-2,15,17,32-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-28-phenyl-8,33-dioxa-24,27,29-triazapentacyclo[23.6.1.14,7.05,31.026,30]tritriaconta-1(31),2,4,9,19,21,25(32),26(30),28-nonaen-13-yl] acetate.
Chemical Property Profile of Ansamycin: Rifamycin derivative LM112
Property Insights of Ansamycin: Rifamycin derivative LM112
The XLogP value of 6.59182 indicates that Ansamycin: Rifamycin derivative LM112 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 209.76 Ų indicates high polarity, suggesting Ansamycin: Rifamycin derivative LM112 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ansamycin: Rifamycin derivative LM112 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 Ansamycin: Rifamycin derivative LM112?
The CAS number of Ansamycin: Rifamycin derivative LM112 is 79855-04-2.
What is the molecular formula of Ansamycin: Rifamycin derivative LM112?
The molecular formula of Ansamycin: Rifamycin derivative LM112 is C44H51N3O11.
What is the molecular weight of Ansamycin: Rifamycin derivative LM112?
The molecular weight of Ansamycin: Rifamycin derivative LM112 is 797.35 g/mol.
Where can I buy Ansamycin: Rifamycin derivative LM112?
You can request a quote for Ansamycin: Rifamycin derivative LM112 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ansamycin: Rifamycin derivative LM112?
Yes, KEHONG BIO provides custom synthesis services for Ansamycin: Rifamycin derivative LM112 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.