AB00722781-01
TL;DR: AB00722781-01 (CAS 736948-75-7) is a chemical compound with molecular formula C15H19N3OS2 and molecular weight 321.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidine-4-thione
Also Known As: AB00722781-01, 2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-4-thiol, 5-(Morpholin-4-ylmethyl)-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraene-3-thiol, 5-[(morpholin-4-yl)methyl]-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraene-3-thiol, 2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidine-4-thione
| Molecular Formula | C15H19N3OS2 |
|---|---|
| Molecular Weight | 321.10 g/mol |
| LogP | 3.06489 |
| Topological Polar Surface Area | 41.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 321.09695 |
| Heavy Atoms | 21 |
| Complexity | 715.5124 |
Chemical Identifiers
| CAS Number | 736948-75-7 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(S2)N=C(NC3=S)CN4CCOCC4 |
Product Overview
AB00722781-01 (CAS 736948-75-7), with molecular formula C15H19N3OS2 and molecular weight 321.10 g/mol. IUPAC: 2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidine-4-thione.
Chemical Property Profile of AB00722781-01
Property Insights of AB00722781-01
The XLogP value of 3.06489 indicates that AB00722781-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.15 Ų, AB00722781-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00722781-01 has 1 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 AB00722781-01?
The CAS number of AB00722781-01 is 736948-75-7.
What is the molecular formula of AB00722781-01?
The molecular formula of AB00722781-01 is C15H19N3OS2.
What is the molecular weight of AB00722781-01?
The molecular weight of AB00722781-01 is 321.10 g/mol.
Where can I buy AB00722781-01?
You can request a quote for AB00722781-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00722781-01?
Yes, KEHONG BIO provides custom synthesis services for AB00722781-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.