BAS 00684778
TL;DR: BAS 00684778 (CAS 306280-97-7) is a chemical compound with molecular formula C18H19N3S and molecular weight 309.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,4-dimethylphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
Also Known As: BAS 00684778, F0239-0850, N-(2,4-dimethylphenyl)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5-tetraen-3-amine, (2,4-dimethylphenyl)-5,6,7,8-tetrahydrobenzo[b]thiopheno[3,2-e]pyrimidin-4-yla mine, N-(2,4-dimethylphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
| Molecular Formula | C18H19N3S |
|---|---|
| Molecular Weight | 309.13 g/mol |
| LogP | 4.93054 |
| Topological Polar Surface Area | 37.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 309.12997 |
| Heavy Atoms | 22 |
| Complexity | 850.9047 |
Chemical Identifiers
| CAS Number | 306280-97-7 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)NC2=C3C4=C(CCCC4)SC3=NC=N2)C |
Product Overview
BAS 00684778 (CAS 306280-97-7), with molecular formula C18H19N3S and molecular weight 309.13 g/mol. IUPAC: N-(2,4-dimethylphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine.
Chemical Property Profile of BAS 00684778
Property Insights of BAS 00684778
The XLogP value of 4.93054 indicates that BAS 00684778 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.81 Ų, BAS 00684778 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00684778 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 BAS 00684778?
The CAS number of BAS 00684778 is 306280-97-7.
What is the molecular formula of BAS 00684778?
The molecular formula of BAS 00684778 is C18H19N3S.
What is the molecular weight of BAS 00684778?
The molecular weight of BAS 00684778 is 309.13 g/mol.
Where can I buy BAS 00684778?
You can request a quote for BAS 00684778 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00684778?
Yes, KEHONG BIO provides custom synthesis services for BAS 00684778 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.