5R-1322
TL;DR: 5R-1322 (CAS 439110-64-2) is a chemical compound with molecular formula C27H23N3O2S3 and molecular weight 517.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[11,13-dimethyl-4-[(4-methylphenyl)methylsulfanyl]-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl]sulfanyl]benzoate
Also Known As: 5R-1322, methyl 2-({7,9-dimethyl-2-[(4-methylbenzyl)sulfanyl]pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl}sulfanyl)benzenecarboxylate, methyl 2-[(11,13-dimethyl-4-{[(4-methylphenyl)methyl]sulfanyl}-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,5,9,11-hexaen-6-yl)sulfanyl]benzoate, Methyl 2-[[11,13-dimethyl-4-[(4-methylphenyl)methylsulfanyl]-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl]sulfanyl]benzoate, Methyl 2-[[7,9-dimethyl-2-[[(4-methylphenyl)methyl]thio]pyrido[3a(2),2a(2):4,5]thieno[3,2-d]pyrimidin-4-yl]thio]benzoate
| Molecular Formula | C27H23N3O2S3 |
|---|---|
| Molecular Weight | 517.10 g/mol |
| LogP | 7.39486 |
| Topological Polar Surface Area | 64.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 517.0952 |
| Heavy Atoms | 35 |
| Complexity | 1562.3539 |
Chemical Identifiers
| CAS Number | 439110-64-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CSC2=NC3=C(C(=N2)SC4=CC=CC=C4C(=O)OC)SC5=C3C(=CC(=N5)C)C |
Product Overview
5R-1322 (CAS 439110-64-2), with molecular formula C27H23N3O2S3 and molecular weight 517.10 g/mol. IUPAC: methyl 2-[[11,13-dimethyl-4-[(4-methylphenyl)methylsulfanyl]-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl]sulfanyl]benzoate.
Chemical Property Profile of 5R-1322
Property Insights of 5R-1322
The XLogP value of 7.39486 indicates that 5R-1322 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.97 Ų falls within the moderate polarity range, balancing permeability and solubility for 5R-1322. Following Lipinski's Rule of Five, 5R-1322 has 0 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 5R-1322?
The CAS number of 5R-1322 is 439110-64-2.
What is the molecular formula of 5R-1322?
The molecular formula of 5R-1322 is C27H23N3O2S3.
What is the molecular weight of 5R-1322?
The molecular weight of 5R-1322 is 517.10 g/mol.
Where can I buy 5R-1322?
You can request a quote for 5R-1322 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5R-1322?
Yes, KEHONG BIO provides custom synthesis services for 5R-1322 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.