![4-chloro-3-nitro-N-(4-(((1R,5R)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)sulfonyl)phenyl)benzamide structure](/static/products/121/1212471-70-9.png)
4-chloro-3-nitro-N-(4-(((1R,5R)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)sulfonyl)phenyl)benzamide
TL;DR: 4-chloro-3-nitro-N-(4-(((1R,5R)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)sulfonyl)phenyl)benzamide (CAS 1212471-70-9) is a chemical compound with molecular formula C24H21ClN4O6S and molecular weight 528.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-3-nitro-N-[4-[[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]sulfonyl]phenyl]benzamide
Also Known As: 4-chloro-3-nitro-N-(4-(((1R,5R)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)sulfonyl)phenyl)benzamide, 4-chloro-3-nitro-N-(4-{[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]sulfonyl}phenyl)benzamide
| Molecular Formula | C24H21ClN4O6S |
|---|---|
| Molecular Weight | 528.09 g/mol |
| LogP | 3.4702 |
| Topological Polar Surface Area | 131.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 528.08704 |
| Heavy Atoms | 36 |
| Complexity | 1536.8967 |
Chemical Identifiers
| CAS Number | 1212471-70-9 |
|---|---|
| SMILES | C1[C@H]2CN(C[C@H]1C3=CC=CC(=O)N3C2)S(=O)(=O)C4=CC=C(C=C4)NC(=O)C5=CC(=C(C=C5)Cl)[N+](=O)[O-] |
Product Overview
4-chloro-3-nitro-N-(4-(((1R,5R)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)sulfonyl)phenyl)benzamide (CAS 1212471-70-9), with molecular formula C24H21ClN4O6S and molecular weight 528.09 g/mol. IUPAC: 4-chloro-3-nitro-N-[4-[[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]sulfonyl]phenyl]benzamide.
Chemical Property Profile of 4-chloro-3-nitro-N-(4-(((1R,5R)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)sulfonyl)phenyl)benzamide
Property Insights of 4-chloro-3-nitro-N-(4-(((1R,5R)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)sulfonyl)phenyl)benzamide
The XLogP value of 3.4702 indicates that 4-chloro-3-nitro-N-(4-(((1R,5R)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)sulfonyl)phenyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 131.62 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-chloro-3-nitro-N-(4-(((1R,5R)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)sulfonyl)phenyl)benzamide. Following Lipinski's Rule of Five, 4-chloro-3-nitro-N-(4-(((1R,5R)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)sulfonyl)phenyl)benzamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-chloro-3-nitro-N-(4-(((1R,5R)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)sulfonyl)phenyl)benzamide?
The CAS number of 4-chloro-3-nitro-N-(4-(((1R,5R)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)sulfonyl)phenyl)benzamide is 1212471-70-9.
What is the molecular formula of 4-chloro-3-nitro-N-(4-(((1R,5R)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)sulfonyl)phenyl)benzamide?
The molecular formula of 4-chloro-3-nitro-N-(4-(((1R,5R)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)sulfonyl)phenyl)benzamide is C24H21ClN4O6S.
What is the molecular weight of 4-chloro-3-nitro-N-(4-(((1R,5R)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)sulfonyl)phenyl)benzamide?
The molecular weight of 4-chloro-3-nitro-N-(4-(((1R,5R)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)sulfonyl)phenyl)benzamide is 528.09 g/mol.
Where can I buy 4-chloro-3-nitro-N-(4-(((1R,5R)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)sulfonyl)phenyl)benzamide?
You can request a quote for 4-chloro-3-nitro-N-(4-(((1R,5R)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)sulfonyl)phenyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-chloro-3-nitro-N-(4-(((1R,5R)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)sulfonyl)phenyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-3-nitro-N-(4-(((1R,5R)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)sulfonyl)phenyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.