FR 66980
TL;DR: FR 66980 (CAS 102409-49-4) is a chemical compound with molecular formula C16H17N3O7 and molecular weight 363.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(11-acetyl-4-formyl-6,9-dihydroxy-14-oxa-1,11-diazatetracyclo[7.4.1.02,7.010,12]tetradeca-2(7),3,5-trien-8-yl)methyl carbamate
Also Known As: (11-Acetyl-4-formyl-6,9-dihydroxy-14-oxa-1,11-diazatetracyclo[7.4.1.02,7.010,12]tetradeca-2(7),3,5-trien-8-yl)methyl carbamate, 3,9-Epoxy-3H-azirino(2,3-c)(1)benzazocine-5-carboxaldehyde, 1-acetyl-8-(((aminocarbonyl)oxy)methyl)-1,1a,2,8,9,9a-hexahydro-7,9-dihydroxy-, (1-Acetyl-5-formyl-7,9-dihydroxy-1,1a,2,8,9,9a-hexahydro-3,9-epoxyazireno[2,3-c][1]benzazocin-8-yl)methyl hydrogen carbonimidate, (1-Acetyl-5-formyl-7,9-dihydroxy-1,1a,2,8,9,9a-hexahydro-3,9-epoxyazirino[2,3-c][1]benzazocin-8-yl)methyl hydrogen carbonimidate, {11-acetyl-4-formyl-6,9-dihydroxy-14-oxa-1,11-diazatetracyclo[7.4.1.02,7.010,12]tetradeca-2,4,6-trien-8-yl}methyl carbamate
| Molecular Formula | C16H17N3O7 |
|---|---|
| Molecular Weight | 363.11 g/mol |
| LogP | -0.5633 |
| Topological Polar Surface Area | 142.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 363.10666 |
| Heavy Atoms | 26 |
| Complexity | 828.3066 |
Chemical Identifiers
| CAS Number | 102409-49-4 |
|---|---|
| SMILES | CC(=O)N1C2C1C3(C(C4=C(C=C(C=C4O)C=O)N(C2)O3)COC(=O)N)O |
Product Overview
FR 66980 (CAS 102409-49-4), with molecular formula C16H17N3O7 and molecular weight 363.11 g/mol. IUPAC: (11-acetyl-4-formyl-6,9-dihydroxy-14-oxa-1,11-diazatetracyclo[7.4.1.02,7.010,12]tetradeca-2(7),3,5-trien-8-yl)methyl carbamate.
Chemical Property Profile of FR 66980
Property Insights of FR 66980
The XLogP value of -0.5633 indicates that FR 66980 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 142.4 Ų indicates high polarity, suggesting FR 66980 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, FR 66980 has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of FR 66980?
The CAS number of FR 66980 is 102409-49-4.
What is the molecular formula of FR 66980?
The molecular formula of FR 66980 is C16H17N3O7.
What is the molecular weight of FR 66980?
The molecular weight of FR 66980 is 363.11 g/mol.
Where can I buy FR 66980?
You can request a quote for FR 66980 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for FR 66980?
Yes, KEHONG BIO provides custom synthesis services for FR 66980 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.