ANSAMYCIN R-127
TL;DR: ANSAMYCIN R-127 (CAS 66780-94-7) is a chemical compound with molecular formula C48H53N3O12 and molecular weight 863.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[28-(furan-2-yl)-2,15,17,32-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-27-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 R-127
| Molecular Formula | C48H53N3O12 |
|---|---|
| Molecular Weight | 863.36 g/mol |
| LogP | 7.2 |
| Topological Polar Surface Area | 212.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 5 |
| Exact Mass | 863.3629 |
| Heavy Atoms | 63 |
| Complexity | 1740.0 |
Chemical Identifiers
| CAS Number | 66780-94-7 |
|---|---|
| SMILES | CC1C=CC=C(C(=O)NC2=C(C3=C(C4=C(C(=C3O)C)OC(C4=O)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C5=C2N(C(=N5)C6=CC=CO6)C7=CC=CC=C7)O)C |
| InChIKey | NHZWNSKKYIURPD-UHFFFAOYSA-N |
Product Overview
ANSAMYCIN R-127 (CAS 66780-94-7), with molecular formula C48H53N3O12 and molecular weight 863.36 g/mol. IUPAC: [28-(furan-2-yl)-2,15,17,32-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-27-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 R-127
Property Insights of ANSAMYCIN R-127
The XLogP value of 7.2 indicates that ANSAMYCIN R-127 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 212.0 Ų indicates high polarity, suggesting ANSAMYCIN R-127 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ANSAMYCIN R-127 has 5 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ANSAMYCIN R-127?
The CAS number of ANSAMYCIN R-127 is 66780-94-7.
What is the molecular formula of ANSAMYCIN R-127?
The molecular formula of ANSAMYCIN R-127 is C48H53N3O12.
What is the molecular weight of ANSAMYCIN R-127?
The molecular weight of ANSAMYCIN R-127 is 863.36 g/mol.
Where can I buy ANSAMYCIN R-127?
You can request a quote for ANSAMYCIN R-127 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ANSAMYCIN R-127?
Yes, KEHONG BIO provides custom synthesis services for ANSAMYCIN R-127 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.