2R-1334
TL;DR: 2R-1334 (CAS 478030-03-4) is a chemical compound with molecular formula C21H16N2O2S3 and molecular weight 424.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(2-prop-2-enylsulfanyl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)sulfanyl]benzoate
Also Known As: 2R-1334, methyl 2-{[2-(allylsulfanyl)[1]benzothieno[3,2-d]pyrimidin-4-yl]sulfanyl}benzenecarboxylate, methyl 2-[(2-prop-2-enylsulfanyl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)sulfanyl]benzoate, methyl 2-{[4-(prop-2-en-1-ylsulfanyl)-8-thia-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,5,9,11-hexaen-6-yl]sulfanyl}benzoate, methyl2-{[4-(prop-2-en-1-ylsulfanyl)-8-thia-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,5,9,11-hexaen-6-yl]sulfanyl}benzoate
| Molecular Formula | C21H16N2O2S3 |
|---|---|
| Molecular Weight | 424.04 g/mol |
| LogP | 6.0604 |
| Topological Polar Surface Area | 52.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 424.03738 |
| Heavy Atoms | 28 |
| Complexity | 1186.9302 |
Chemical Identifiers
| CAS Number | 478030-03-4 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1SC2=NC(=NC3=C2SC4=CC=CC=C43)SCC=C |
Product Overview
2R-1334 (CAS 478030-03-4), with molecular formula C21H16N2O2S3 and molecular weight 424.04 g/mol. IUPAC: methyl 2-[(2-prop-2-enylsulfanyl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)sulfanyl]benzoate.
Chemical Property Profile of 2R-1334
Property Insights of 2R-1334
The XLogP value of 6.0604 indicates that 2R-1334 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.08 Ų, 2R-1334 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2R-1334 has 0 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 2R-1334?
The CAS number of 2R-1334 is 478030-03-4.
What is the molecular formula of 2R-1334?
The molecular formula of 2R-1334 is C21H16N2O2S3.
What is the molecular weight of 2R-1334?
The molecular weight of 2R-1334 is 424.04 g/mol.
Where can I buy 2R-1334?
You can request a quote for 2R-1334 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2R-1334?
Yes, KEHONG BIO provides custom synthesis services for 2R-1334 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.