L3M2ND6ZYF
TL;DR: L3M2ND6ZYF (CAS 41276-23-7) is a chemical compound with molecular formula C23H24ClN5O5S2 and molecular weight 549.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-5-[[2-[(2-methylphenyl)methyl]-8-oxo-2,4,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3-dien-11-yl]sulfonyl]benzenesulfonamide
Also Known As: 2-Chloro-5-((9-((2-methylphenyl)methyl)-4-oxo(5,6,7,8,9,3a-hexahydro-2-imidazolino(1,2-a)pyridino(4,3-d)pyrimidin-6-yl))sulfonyl)benzenesulfonamide, 2-chloro-5-({2-[(2-methylphenyl)methyl]-8-oxo-2,4,7,11-tetraazatricyclo[7.4.0.0{3,7}]trideca-1(9),3-dien-11-yl}sulfonyl)benzene-1-sulfonamide, 2-Chloro-5-({9-[(2-methylphenyl)methyl]-4-oxo(5,6,7,8,9,3a-hexahydro-2-imidazolino[1,2-a]pyridino[4,3-d]pyrimidin-6-yl)}sulfonyl)benzenesulfonamide, 2-chloro-5-[[10-(o-tolylmethyl)-5-oxo-3,6,8,9-tetrahydro-2H-imidazo[[?]]pyrido[[?]]pyrimidin-7-yl]sulfonyl]benzenesulfonamide, 2-Chloro-5-[[2,3,6,8,9,10-hexahydro-10-[(2-methylphenyl)methyl]-5-oxoimidazo[1,2-a]pyrido[4,3-d]pyrimidin-7(5H)-yl]sulfonyl]benzenesulfonamide
| Molecular Formula | C23H24ClN5O5S2 |
|---|---|
| Molecular Weight | 549.09 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 150.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 549.09076 |
| Heavy Atoms | 36 |
| Complexity | 1180.0 |
Chemical Identifiers
| CAS Number | 41276-23-7 |
|---|---|
| SMILES | CC1=CC=CC=C1CN2C3=C(CN(CC3)S(=O)(=O)C4=CC(=C(C=C4)Cl)S(=O)(=O)N)C(=O)N5C2=NCC5 |
| InChIKey | VDMIXURZCFZVBO-UHFFFAOYSA-N |
Product Overview
L3M2ND6ZYF (CAS 41276-23-7), with molecular formula C23H24ClN5O5S2 and molecular weight 549.09 g/mol. IUPAC: 2-chloro-5-[[2-[(2-methylphenyl)methyl]-8-oxo-2,4,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3-dien-11-yl]sulfonyl]benzenesulfonamide.
Chemical Property Profile of L3M2ND6ZYF
Property Insights of L3M2ND6ZYF
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for L3M2ND6ZYF. The TPSA of 150.0 Ų indicates high polarity, suggesting L3M2ND6ZYF may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, L3M2ND6ZYF has 1 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 L3M2ND6ZYF?
The CAS number of L3M2ND6ZYF is 41276-23-7.
What is the molecular formula of L3M2ND6ZYF?
The molecular formula of L3M2ND6ZYF is C23H24ClN5O5S2.
What is the molecular weight of L3M2ND6ZYF?
The molecular weight of L3M2ND6ZYF is 549.09 g/mol.
Where can I buy L3M2ND6ZYF?
You can request a quote for L3M2ND6ZYF directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for L3M2ND6ZYF?
Yes, KEHONG BIO provides custom synthesis services for L3M2ND6ZYF and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.