ChemDiv1_014968
TL;DR: ChemDiv1_014968 (CAS 442532-17-4) is a chemical compound with molecular formula C33H39N5O5S and molecular weight 617.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-acetamidophenyl)sulfonylamino]-N-cyclohexyl-N-methyl-4-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)benzamide
Also Known As: ChemDiv1_014968, DivK1c_003272, CDS1_002232, F0916-7023, 3-(4-acetamidophenylsulfonamido)-N-cyclohexyl-N-methyl-4-(8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)benzamide
| Molecular Formula | C33H39N5O5S |
|---|---|
| Molecular Weight | 617.27 g/mol |
| LogP | 4.6359 |
| Topological Polar Surface Area | 120.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 617.2672 |
| Heavy Atoms | 44 |
| Complexity | 1729.8783 |
Chemical Identifiers
| CAS Number | 442532-17-4 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)C(=O)N(C)C3CCCCC3)N4CC5CC(C4)C6=CC=CC(=O)N6C5 |
Product Overview
ChemDiv1_014968 (CAS 442532-17-4), with molecular formula C33H39N5O5S and molecular weight 617.27 g/mol. IUPAC: 3-[(4-acetamidophenyl)sulfonylamino]-N-cyclohexyl-N-methyl-4-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)benzamide.
Chemical Property Profile of ChemDiv1_014968
Property Insights of ChemDiv1_014968
The XLogP value of 4.6359 indicates that ChemDiv1_014968 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.82 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_014968. Following Lipinski's Rule of Five, ChemDiv1_014968 has 2 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 ChemDiv1_014968?
The CAS number of ChemDiv1_014968 is 442532-17-4.
What is the molecular formula of ChemDiv1_014968?
The molecular formula of ChemDiv1_014968 is C33H39N5O5S.
What is the molecular weight of ChemDiv1_014968?
The molecular weight of ChemDiv1_014968 is 617.27 g/mol.
Where can I buy ChemDiv1_014968?
You can request a quote for ChemDiv1_014968 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_014968?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_014968 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.