ChemDiv1_000449
TL;DR: ChemDiv1_000449 (CAS 313238-97-0) is a chemical compound with molecular formula C23H25N5O6S2 and molecular weight 531.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-morpholin-4-ylsulfonylbenzamide
Also Known As: ChemDiv1_000449, DivK1c_005747, CDS1_004707, BIM-0030149.P001, N-{4-[(4,6-DIMETHYLPYRIMIDIN-2-YL)SULFAMOYL]PHENYL}-4-(MORPHOLINE-4-SULFONYL)BENZAMIDE
| Molecular Formula | C23H25N5O6S2 |
|---|---|
| Molecular Weight | 531.12 g/mol |
| LogP | 2.16744 |
| Topological Polar Surface Area | 147.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 531.12463 |
| Heavy Atoms | 36 |
| Complexity | 1448.1288 |
Chemical Identifiers
| CAS Number | 313238-97-0 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)C |
Product Overview
ChemDiv1_000449 (CAS 313238-97-0), with molecular formula C23H25N5O6S2 and molecular weight 531.12 g/mol. IUPAC: N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-morpholin-4-ylsulfonylbenzamide.
Chemical Property Profile of ChemDiv1_000449
Property Insights of ChemDiv1_000449
The XLogP value of 2.16744 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_000449. The TPSA of 147.66 Ų indicates high polarity, suggesting ChemDiv1_000449 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ChemDiv1_000449 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_000449?
The CAS number of ChemDiv1_000449 is 313238-97-0.
What is the molecular formula of ChemDiv1_000449?
The molecular formula of ChemDiv1_000449 is C23H25N5O6S2.
What is the molecular weight of ChemDiv1_000449?
The molecular weight of ChemDiv1_000449 is 531.12 g/mol.
Where can I buy ChemDiv1_000449?
You can request a quote for ChemDiv1_000449 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_000449?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_000449 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.