RefChem:203885
TL;DR: RefChem:203885 (CAS 114752-07-7) is a chemical compound with molecular formula C16H15N3S2 and molecular weight 313.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-4-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-2-thione
Also Known As: (1)Benzothieno(2,3-d)pyrimidine-2(3H)-thione, 5,6,7,8-tetrahydro-3-amino-4-phenyl-, 3-Amino-4-phenyl-5,6,7,8-tetrahydro-(1)benzothieno(2,3-d)pyrimidine-2(3H)-thione, 3-amino-4-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-2-thione, 3-Amino-4-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2(3H)-thione, 3-Amino-5,6,7,8-tetrahydro-4-phenyl[1]benzothieno[2,3-d]pyrimidine-2(3H)-thione
| Molecular Formula | C16H15N3S2 |
|---|---|
| Molecular Weight | 313.07 g/mol |
| LogP | 4.08689 |
| Topological Polar Surface Area | 43.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 313.07074 |
| Heavy Atoms | 21 |
| Complexity | 877.91376 |
Chemical Identifiers
| CAS Number | 114752-07-7 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(N(C(=S)N=C3S2)N)C4=CC=CC=C4 |
Product Overview
RefChem:203885 (CAS 114752-07-7), with molecular formula C16H15N3S2 and molecular weight 313.07 g/mol. IUPAC: 3-amino-4-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-2-thione.
Chemical Property Profile of RefChem:203885
Property Insights of RefChem:203885
The XLogP value of 4.08689 indicates that RefChem:203885 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.84 Ų, RefChem:203885 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:203885 has 1 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 RefChem:203885?
The CAS number of RefChem:203885 is 114752-07-7.
What is the molecular formula of RefChem:203885?
The molecular formula of RefChem:203885 is C16H15N3S2.
What is the molecular weight of RefChem:203885?
The molecular weight of RefChem:203885 is 313.07 g/mol.
Where can I buy RefChem:203885?
You can request a quote for RefChem:203885 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:203885?
Yes, KEHONG BIO provides custom synthesis services for RefChem:203885 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.