A4076/0173713
TL;DR: A4076/0173713 (CAS 881599-76-4) is a chemical compound with molecular formula C28H26N8O7S and molecular weight 618.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
morpholin-4-yl-[3-nitro-4-[4-[7-(tetrazol-1-yl)dibenzofuran-2-yl]sulfonylpiperazin-1-yl]phenyl]methanone
Also Known As: A4076/0173713, morpholin-4-yl-[3-nitro-4-[4-[7-(tetrazol-1-yl)dibenzofuran-2-yl]sulfonylpiperazin-1-yl]phenyl]methanone, 4-[3-nitro-4-(4-{[7-(1H-tetrazol-1-yl)dibenzo[b,d]furan-2-yl]sulfonyl}piperazin-1-yl)benzoyl]morpholine, morpholin-4-yl[3-nitro-4-(4-{[7-(1H-tetrazol-1-yl)dibenzo[b,d]furan-2-yl]sulfonyl}piperazin-1-yl)phenyl]methanone, morpholino[3-nitro-4-(4-{[7-(1H-1,2,3,4-tetraazol-1-yl)dibenzo[b,d]furan-2-yl]sulfonyl}piperazino)phenyl]methanone
| Molecular Formula | C28H26N8O7S |
|---|---|
| Molecular Weight | 618.16 g/mol |
| LogP | 2.4532 |
| Topological Polar Surface Area | 170.04 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 6 |
| Exact Mass | 618.1645 |
| Heavy Atoms | 44 |
| Complexity | 1997.3533 |
Chemical Identifiers
| CAS Number | 881599-76-4 |
|---|---|
| SMILES | C1CN(CCN1C2=C(C=C(C=C2)C(=O)N3CCOCC3)[N+](=O)[O-])S(=O)(=O)C4=CC5=C(C=C4)OC6=C5C=CC(=C6)N7C=NN=N7 |
Product Overview
A4076/0173713 (CAS 881599-76-4), with molecular formula C28H26N8O7S and molecular weight 618.16 g/mol. IUPAC: morpholin-4-yl-[3-nitro-4-[4-[7-(tetrazol-1-yl)dibenzofuran-2-yl]sulfonylpiperazin-1-yl]phenyl]methanone.
Chemical Property Profile of A4076/0173713
Property Insights of A4076/0173713
The XLogP value of 2.4532 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A4076/0173713. The TPSA of 170.04 Ų indicates high polarity, suggesting A4076/0173713 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, A4076/0173713 has 0 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A4076/0173713?
The CAS number of A4076/0173713 is 881599-76-4.
What is the molecular formula of A4076/0173713?
The molecular formula of A4076/0173713 is C28H26N8O7S.
What is the molecular weight of A4076/0173713?
The molecular weight of A4076/0173713 is 618.16 g/mol.
Where can I buy A4076/0173713?
You can request a quote for A4076/0173713 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A4076/0173713?
Yes, KEHONG BIO provides custom synthesis services for A4076/0173713 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.