5R-1310
TL;DR: 5R-1310 (CAS 439110-62-0) is a chemical compound with molecular formula C23H24N4S2 and molecular weight 420.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11,13-dimethyl-4-[(4-methylphenyl)methylsulfanyl]-6-pyrrolidin-1-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
Also Known As: 5R-1310, 7,9-dimethyl-2-[(4-methylbenzyl)sulfanyl]-4-(1-pyrrolidinyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidine, 11,13-dimethyl-4-{[(4-methylphenyl)methyl]sulfanyl}-6-(pyrrolidin-1-yl)-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,5,9,11-hexaene, 11,13-dimethyl-4-[(4-methylphenyl)methylsulfanyl]-6-pyrrolidin-1-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
| Molecular Formula | C23H24N4S2 |
|---|---|
| Molecular Weight | 420.14 g/mol |
| LogP | 6.05726 |
| Topological Polar Surface Area | 41.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 420.14423 |
| Heavy Atoms | 29 |
| Complexity | 1191.4248 |
Chemical Identifiers
| CAS Number | 439110-62-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CSC2=NC3=C(C(=N2)N4CCCC4)SC5=C3C(=CC(=N5)C)C |
Product Overview
5R-1310 (CAS 439110-62-0), with molecular formula C23H24N4S2 and molecular weight 420.14 g/mol. IUPAC: 11,13-dimethyl-4-[(4-methylphenyl)methylsulfanyl]-6-pyrrolidin-1-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.
Chemical Property Profile of 5R-1310
Property Insights of 5R-1310
The XLogP value of 6.05726 indicates that 5R-1310 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.91 Ų, 5R-1310 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5R-1310 has 0 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 5R-1310?
The CAS number of 5R-1310 is 439110-62-0.
What is the molecular formula of 5R-1310?
The molecular formula of 5R-1310 is C23H24N4S2.
What is the molecular weight of 5R-1310?
The molecular weight of 5R-1310 is 420.14 g/mol.
Where can I buy 5R-1310?
You can request a quote for 5R-1310 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5R-1310?
Yes, KEHONG BIO provides custom synthesis services for 5R-1310 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.