3,3-Difluoro-3-demethoxysporaricin A
TL;DR: 3,3-Difluoro-3-demethoxysporaricin A (CAS 83865-96-7) is a chemical compound with molecular formula C16H31F2N5O4 and molecular weight 395.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-N-[4-amino-5-[3-amino-6-(1-aminoethyl)oxan-2-yl]oxy-2,2-difluoro-6-hydroxycyclohexyl]-N-methylacetamide
Also Known As: 3,3-Difluoro-3-demethoxysporaricin A, Sporaricin A, 3-demethoxy-3,3-difluoro-, EINECS 281-144-3, Acetamide, 2-amino-N-(4-amino-5-((2,6-diamino-2,3,4,6,7-pentadeoxy-beta-L-lyxo-heptopyranosyl)oxy)-2,2-difluoro-6-hydroxycyclohexyl)-N-methyl-, (1S-(1-alpha,4-beta,5-beta,6-alpha))-, 2-amino-N-[4-amino-5-[3-amino-6-(1-aminoethyl)oxan-2-yl]oxy-2,2-difluoro-6-hydroxycyclohexyl]-N-methylacetamide
| Molecular Formula | C16H31F2N5O4 |
|---|---|
| Molecular Weight | 395.23 g/mol |
| LogP | -1.9359 |
| Topological Polar Surface Area | 163.08 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 395.2344 |
| Heavy Atoms | 27 |
| Complexity | 527.0391 |
Chemical Identifiers
| CAS Number | 83865-96-7 |
|---|---|
| SMILES | CC(C1CCC(C(O1)OC2C(CC(C(C2O)N(C)C(=O)CN)(F)F)N)N)N |
Product Overview
3,3-Difluoro-3-demethoxysporaricin A (CAS 83865-96-7), with molecular formula C16H31F2N5O4 and molecular weight 395.23 g/mol. IUPAC: 2-amino-N-[4-amino-5-[3-amino-6-(1-aminoethyl)oxan-2-yl]oxy-2,2-difluoro-6-hydroxycyclohexyl]-N-methylacetamide.
Chemical Property Profile of 3,3-Difluoro-3-demethoxysporaricin A
Property Insights of 3,3-Difluoro-3-demethoxysporaricin A
The XLogP value of -1.9359 indicates that 3,3-Difluoro-3-demethoxysporaricin A is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 163.08 Ų indicates high polarity, suggesting 3,3-Difluoro-3-demethoxysporaricin A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3,3-Difluoro-3-demethoxysporaricin A has 5 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 3,3-Difluoro-3-demethoxysporaricin A?
The CAS number of 3,3-Difluoro-3-demethoxysporaricin A is 83865-96-7.
What is the molecular formula of 3,3-Difluoro-3-demethoxysporaricin A?
The molecular formula of 3,3-Difluoro-3-demethoxysporaricin A is C16H31F2N5O4.
What is the molecular weight of 3,3-Difluoro-3-demethoxysporaricin A?
The molecular weight of 3,3-Difluoro-3-demethoxysporaricin A is 395.23 g/mol.
Where can I buy 3,3-Difluoro-3-demethoxysporaricin A?
You can request a quote for 3,3-Difluoro-3-demethoxysporaricin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-Difluoro-3-demethoxysporaricin A?
Yes, KEHONG BIO provides custom synthesis services for 3,3-Difluoro-3-demethoxysporaricin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.