Ansamycin: Rifamycin derivative R-112
TL;DR: Ansamycin: Rifamycin derivative R-112 (CAS 66892-00-0) is a chemical compound with molecular formula C38H47N3O11S and molecular weight 753.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(9E,19E,21Z)-28-amino-2,15,17,32-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,33-dioxa-27-thia-24,29-diazapentacyclo[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 R-112, [(9Z,19E,21Z)-28-amino-2,15,17,32-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,33-dioxa-27-thia-24,29-diazapentacyclo[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 | C38H47N3O11S |
|---|---|
| Molecular Weight | 753.29 g/mol |
| LogP | 5.24042 |
| Topological Polar Surface Area | 219.99 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 2 |
| Exact Mass | 753.29315 |
| Heavy Atoms | 53 |
| Complexity | 2055.7644 |
Chemical Identifiers
| CAS Number | 66892-00-0 |
|---|---|
| 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=C2SC(=N5)N)O)/C |
Product Overview
Ansamycin: Rifamycin derivative R-112 (CAS 66892-00-0), with molecular formula C38H47N3O11S and molecular weight 753.29 g/mol. IUPAC: [(9E,19E,21Z)-28-amino-2,15,17,32-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,33-dioxa-27-thia-24,29-diazapentacyclo[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 R-112
Property Insights of Ansamycin: Rifamycin derivative R-112
The XLogP value of 5.24042 indicates that Ansamycin: Rifamycin derivative R-112 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 219.99 Ų indicates high polarity, suggesting Ansamycin: Rifamycin derivative R-112 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ansamycin: Rifamycin derivative R-112 has 6 hydrogen bond donor(s) and 14 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 R-112?
The CAS number of Ansamycin: Rifamycin derivative R-112 is 66892-00-0.
What is the molecular formula of Ansamycin: Rifamycin derivative R-112?
The molecular formula of Ansamycin: Rifamycin derivative R-112 is C38H47N3O11S.
What is the molecular weight of Ansamycin: Rifamycin derivative R-112?
The molecular weight of Ansamycin: Rifamycin derivative R-112 is 753.29 g/mol.
Where can I buy Ansamycin: Rifamycin derivative R-112?
You can request a quote for Ansamycin: Rifamycin derivative R-112 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 R-112?
Yes, KEHONG BIO provides custom synthesis services for Ansamycin: Rifamycin derivative R-112 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.