AB00709644-01
TL;DR: AB00709644-01 (CAS 6543-17-5) is a chemical compound with molecular formula C27H26N4OS and molecular weight 454.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1,3-benzothiazol-2-yl)-4-[4-(diethylamino)phenyl]-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one
Also Known As: AB00709644-01, 5-(1,3-benzothiazol-2-yl)-4-[4-(diethylamino)phenyl]-6-phenyl-1,2,3,4-tetrahydropyrimidin-2-one, 5-(1,3-benzothiazol-2-yl)-4-[4-(diethylamino)phenyl]-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one, 5-(3H-benzothiazol-2-ylidene)-4-(4-diethylaminophenyl)-6-phenyl-3,4-dihydropyrimidin-2-one, (5E)-5-(3H-1,3-benzothiazol-2-ylidene)-6-[4-(diethylamino)phenyl]-4-phenyl-1,6-dihydropyrimidin-2-one
| Molecular Formula | C27H26N4OS |
|---|---|
| Molecular Weight | 454.18 g/mol |
| LogP | 6.0649 |
| Topological Polar Surface Area | 57.26 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 454.18274 |
| Heavy Atoms | 33 |
| Complexity | 1273.9811 |
Chemical Identifiers
| CAS Number | 6543-17-5 |
|---|---|
| SMILES | CCN(CC)C1=CC=C(C=C1)C2C(=C(NC(=O)N2)C3=CC=CC=C3)C4=NC5=CC=CC=C5S4 |
Product Overview
AB00709644-01 (CAS 6543-17-5), with molecular formula C27H26N4OS and molecular weight 454.18 g/mol. IUPAC: 5-(1,3-benzothiazol-2-yl)-4-[4-(diethylamino)phenyl]-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one.
Chemical Property Profile of AB00709644-01
Property Insights of AB00709644-01
The XLogP value of 6.0649 indicates that AB00709644-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.26 Ų, AB00709644-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00709644-01 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00709644-01?
The CAS number of AB00709644-01 is 6543-17-5.
What is the molecular formula of AB00709644-01?
The molecular formula of AB00709644-01 is C27H26N4OS.
What is the molecular weight of AB00709644-01?
The molecular weight of AB00709644-01 is 454.18 g/mol.
Where can I buy AB00709644-01?
You can request a quote for AB00709644-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00709644-01?
Yes, KEHONG BIO provides custom synthesis services for AB00709644-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.