ANSAMYCIN R-116
TL;DR: ANSAMYCIN R-116 (CAS 66781-07-5) is a chemical compound with molecular formula C43H51N3O11 and molecular weight 785.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(9Z,19E,21E)-27-amino-26-anilino-2,15,17-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,29-trioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,24,26-octaen-13-yl] acetate
Also Known As: ANSAMYCIN R-116
| Molecular Formula | C43H51N3O11 |
|---|---|
| Molecular Weight | 785.35 g/mol |
| LogP | 5.15452 |
| Topological Polar Surface Area | 216.3 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 4 |
| Exact Mass | 785.35236 |
| Heavy Atoms | 57 |
| Complexity | 2103.2349 |
Chemical Identifiers
| CAS Number | 66781-07-5 |
|---|---|
| SMILES | CC1/C=C/C=C(/C(=O)N=C2C(=C(C3=C(C2=O)C(=C(C4=C3C(=O)C(O4)(O/C=C\C(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)N)NC5=CC=CC=C5)\C |
Product Overview
ANSAMYCIN R-116 (CAS 66781-07-5), with molecular formula C43H51N3O11 and molecular weight 785.35 g/mol. IUPAC: [(9Z,19E,21E)-27-amino-26-anilino-2,15,17-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,29-trioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,24,26-octaen-13-yl] acetate.
Chemical Property Profile of ANSAMYCIN R-116
Property Insights of ANSAMYCIN R-116
The XLogP value of 5.15452 indicates that ANSAMYCIN R-116 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 216.3 Ų indicates high polarity, suggesting ANSAMYCIN R-116 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ANSAMYCIN R-116 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-116?
The CAS number of ANSAMYCIN R-116 is 66781-07-5.
What is the molecular formula of ANSAMYCIN R-116?
The molecular formula of ANSAMYCIN R-116 is C43H51N3O11.
What is the molecular weight of ANSAMYCIN R-116?
The molecular weight of ANSAMYCIN R-116 is 785.35 g/mol.
Where can I buy ANSAMYCIN R-116?
You can request a quote for ANSAMYCIN R-116 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ANSAMYCIN R-116?
Yes, KEHONG BIO provides custom synthesis services for ANSAMYCIN R-116 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.