CDS1_002001
TL;DR: CDS1_002001 (CAS 278176-63-9) is a chemical compound with molecular formula C16H13NO2S2 and molecular weight 315.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(E)-2-thiophen-2-ylethenyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]oxazin-4-one
Also Known As: CDS1_002001, J1.244.363C, AF-399/15336067, 2-[(E)-2-thiophen-2-ylethenyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]oxazin-4-one, F1174-1622
| Molecular Formula | C16H13NO2S2 |
|---|---|
| Molecular Weight | 315.04 g/mol |
| LogP | 4.3602 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 315.03876 |
| Heavy Atoms | 21 |
| Complexity | 871.6994 |
Chemical Identifiers
| CAS Number | 278176-63-9 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(S2)N=C(OC3=O)/C=C/C4=CC=CS4 |
Product Overview
CDS1_002001 (CAS 278176-63-9), with molecular formula C16H13NO2S2 and molecular weight 315.04 g/mol. IUPAC: 2-[(E)-2-thiophen-2-ylethenyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]oxazin-4-one.
Chemical Property Profile of CDS1_002001
Property Insights of CDS1_002001
The XLogP value of 4.3602 indicates that CDS1_002001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.1 Ų, CDS1_002001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CDS1_002001 has 0 hydrogen bond donor(s) and 5 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 CDS1_002001?
The CAS number of CDS1_002001 is 278176-63-9.
What is the molecular formula of CDS1_002001?
The molecular formula of CDS1_002001 is C16H13NO2S2.
What is the molecular weight of CDS1_002001?
The molecular weight of CDS1_002001 is 315.04 g/mol.
Where can I buy CDS1_002001?
You can request a quote for CDS1_002001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CDS1_002001?
Yes, KEHONG BIO provides custom synthesis services for CDS1_002001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.