C27H23ClN4O4S
TL;DR: C27H23ClN4O4S (CAS 845901-74-8) is a chemical compound with molecular formula C27H23ClN4O4S and molecular weight 534.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-chlorophenyl)sulfonyl-6-imino-7-[2-(4-methoxyphenyl)ethyl]-11-methyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one
Also Known As: 3-[(4-chlorophenyl)sulfonyl]-2-imino-1-[2-(4-methoxyphenyl)ethyl]-10-methyl-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one, 3-((4-chlorophenyl)sulfonyl)-2-imino-1-(4-methoxyphenethyl)-10-methyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one
| Molecular Formula | C27H23ClN4O4S |
|---|---|
| Molecular Weight | 534.11 g/mol |
| LogP | 4.17459 |
| Topological Polar Surface Area | 106.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 534.11285 |
| Heavy Atoms | 37 |
| Complexity | 1878.122 |
Chemical Identifiers
| CAS Number | 845901-74-8 |
|---|---|
| SMILES | CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CCC4=CC=C(C=C4)OC)S(=O)(=O)C5=CC=C(C=C5)Cl |
Product Overview
C27H23ClN4O4S (CAS 845901-74-8), with molecular formula C27H23ClN4O4S and molecular weight 534.11 g/mol. IUPAC: 5-(4-chlorophenyl)sulfonyl-6-imino-7-[2-(4-methoxyphenyl)ethyl]-11-methyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one.
Chemical Property Profile of C27H23ClN4O4S
Property Insights of C27H23ClN4O4S
The XLogP value of 4.17459 indicates that C27H23ClN4O4S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.52 Ų falls within the moderate polarity range, balancing permeability and solubility for C27H23ClN4O4S. Following Lipinski's Rule of Five, C27H23ClN4O4S 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 C27H23ClN4O4S?
The CAS number of C27H23ClN4O4S is 845901-74-8.
What is the molecular formula of C27H23ClN4O4S?
The molecular formula of C27H23ClN4O4S is C27H23ClN4O4S.
What is the molecular weight of C27H23ClN4O4S?
The molecular weight of C27H23ClN4O4S is 534.11 g/mol.
Where can I buy C27H23ClN4O4S?
You can request a quote for C27H23ClN4O4S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C27H23ClN4O4S?
Yes, KEHONG BIO provides custom synthesis services for C27H23ClN4O4S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.