AB00776747-01
TL;DR: AB00776747-01 (CAS 565168-80-1) is a chemical compound with molecular formula C18H22N2O4S and molecular weight 362.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-oxo-3-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]propanoic acid
Also Known As: AB00776747-01, 3-[3-Oxo-4-(oxolan-2-ylmethyl)-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-5-yl]propanoic acid, 3-[4-oxo-3-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]propanoic acid, 3-[4-Oxo-3-(tetrahydro-furan-2-ylmethyl)-3,4,5,6,7,8-hexahydro-benzo[4,5]thieno[2,3-d]pyrimidin-2-yl]-propionic acid, 3-{3-oxo-4-[(oxolan-2-yl)methyl]-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-5-yl}propanoic acid
| Molecular Formula | C18H22N2O4S |
|---|---|
| Molecular Weight | 362.13 g/mol |
| LogP | 2.533 |
| Topological Polar Surface Area | 81.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 362.13004 |
| Heavy Atoms | 25 |
| Complexity | 864.0637 |
Chemical Identifiers
| CAS Number | 565168-80-1 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(S2)N=C(N(C3=O)CC4CCCO4)CCC(=O)O |
Product Overview
AB00776747-01 (CAS 565168-80-1), with molecular formula C18H22N2O4S and molecular weight 362.13 g/mol. IUPAC: 3-[4-oxo-3-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]propanoic acid.
Chemical Property Profile of AB00776747-01
Property Insights of AB00776747-01
The XLogP value of 2.533 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00776747-01. The TPSA of 81.42 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00776747-01. Following Lipinski's Rule of Five, AB00776747-01 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 AB00776747-01?
The CAS number of AB00776747-01 is 565168-80-1.
What is the molecular formula of AB00776747-01?
The molecular formula of AB00776747-01 is C18H22N2O4S.
What is the molecular weight of AB00776747-01?
The molecular weight of AB00776747-01 is 362.13 g/mol.
Where can I buy AB00776747-01?
You can request a quote for AB00776747-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00776747-01?
Yes, KEHONG BIO provides custom synthesis services for AB00776747-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.