ChemDiv1_005042
TL;DR: ChemDiv1_005042 (CAS 361174-50-7) is a chemical compound with molecular formula C27H26N4O5S2 and molecular weight 550.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[4-(5-thia-3-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),3,7,11(15),12-hexaen-4-ylcarbamoyl)phenyl]sulfonylpiperazine-1-carboxylate
Also Known As: ChemDiv1_005042, F0834-0658, ethyl 4-[4-({5-thia-3-azatetracyclo[6.6.1.0^{2,6}.0^{11,15}]pentadeca-1(15),2(6),3,7,11,13-hexaen-4-yl}carbamoyl)benzenesulfonyl]piperazine-1-carboxylate, ethyl 4-((4-((4,5-dihydroacenaphtho[5,4-d]thiazol-8-yl)carbamoyl)phenyl)sulfonyl)piperazine-1-carboxylate, ethyl 4-[4-(5-thia-3-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),3,7,11(15),12-hexaen-4-ylcarbamoyl)phenyl]sulfonylpiperazine-1-carboxylate
| Molecular Formula | C27H26N4O5S2 |
|---|---|
| Molecular Weight | 550.13 g/mol |
| LogP | 4.2632 |
| Topological Polar Surface Area | 108.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 550.13446 |
| Heavy Atoms | 38 |
| Complexity | 1673.4369 |
Chemical Identifiers
| CAS Number | 361174-50-7 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NC4=C(S3)C=C5CCC6=C5C4=CC=C6 |
Product Overview
ChemDiv1_005042 (CAS 361174-50-7), with molecular formula C27H26N4O5S2 and molecular weight 550.13 g/mol. IUPAC: ethyl 4-[4-(5-thia-3-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),3,7,11(15),12-hexaen-4-ylcarbamoyl)phenyl]sulfonylpiperazine-1-carboxylate.
Chemical Property Profile of ChemDiv1_005042
Property Insights of ChemDiv1_005042
The XLogP value of 4.2632 indicates that ChemDiv1_005042 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.91 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_005042. Following Lipinski's Rule of Five, ChemDiv1_005042 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_005042?
The CAS number of ChemDiv1_005042 is 361174-50-7.
What is the molecular formula of ChemDiv1_005042?
The molecular formula of ChemDiv1_005042 is C27H26N4O5S2.
What is the molecular weight of ChemDiv1_005042?
The molecular weight of ChemDiv1_005042 is 550.13 g/mol.
Where can I buy ChemDiv1_005042?
You can request a quote for ChemDiv1_005042 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005042?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005042 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.