A2278/0096009
TL;DR: A2278/0096009 (CAS 309740-29-2) is a chemical compound with molecular formula C18H17BrN2OS2 and molecular weight 420.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-bromophenyl)methylsulfanyl]-3-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: A2278/0096009, 2-[(2-bromobenzyl)sulfanyl]-3-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, 2-[(2-bromophenyl)methylsulfanyl]-3-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one, 2-[(2-bromobenzyl)thio]-3-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
| Molecular Formula | C18H17BrN2OS2 |
|---|---|
| Molecular Weight | 420.00 g/mol |
| LogP | 4.9286 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 419.99658 |
| Heavy Atoms | 24 |
| Complexity | 977.0446 |
Chemical Identifiers
| CAS Number | 309740-29-2 |
|---|---|
| SMILES | CN1C(=O)C2=C(N=C1SCC3=CC=CC=C3Br)SC4=C2CCCC4 |
Product Overview
A2278/0096009 (CAS 309740-29-2), with molecular formula C18H17BrN2OS2 and molecular weight 420.00 g/mol. IUPAC: 2-[(2-bromophenyl)methylsulfanyl]-3-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of A2278/0096009
Property Insights of A2278/0096009
The XLogP value of 4.9286 indicates that A2278/0096009 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.89 Ų, A2278/0096009 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A2278/0096009 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A2278/0096009?
The CAS number of A2278/0096009 is 309740-29-2.
What is the molecular formula of A2278/0096009?
The molecular formula of A2278/0096009 is C18H17BrN2OS2.
What is the molecular weight of A2278/0096009?
The molecular weight of A2278/0096009 is 420.00 g/mol.
Where can I buy A2278/0096009?
You can request a quote for A2278/0096009 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2278/0096009?
Yes, KEHONG BIO provides custom synthesis services for A2278/0096009 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.