BAS 01580047
TL;DR: BAS 01580047 (CAS 307495-26-7) is a chemical compound with molecular formula C25H22Cl2N2O3S2 and molecular weight 532.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(3,4-dichlorophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
Also Known As: BAS 01580047, 2-((3,4-dichlorobenzyl)thio)-3-(4-methoxyphenyl)-6,6-dimethyl-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one, 2-[(3,4-dichlorobenzyl)sulfanyl]-3-(4-methoxyphenyl)-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one, 2-[(3,4-dichlorophenyl)methylthio]-3-(4-methoxyphenyl)-6,6-dimethyl-3,5,6-trih ydro-8H-pyrimidino[5',4'-4,5]thiopheno[2,3-c]pyran-4-one
| Molecular Formula | C25H22Cl2N2O3S2 |
|---|---|
| Molecular Weight | 532.04 g/mol |
| LogP | 6.9062 |
| Topological Polar Surface Area | 53.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 532.04486 |
| Heavy Atoms | 34 |
| Complexity | 1445.5609 |
Chemical Identifiers
| CAS Number | 307495-26-7 |
|---|---|
| SMILES | CC1(CC2=C(CO1)SC3=C2C(=O)N(C(=N3)SCC4=CC(=C(C=C4)Cl)Cl)C5=CC=C(C=C5)OC)C |
Product Overview
BAS 01580047 (CAS 307495-26-7), with molecular formula C25H22Cl2N2O3S2 and molecular weight 532.04 g/mol. IUPAC: 5-[(3,4-dichlorophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one.
Chemical Property Profile of BAS 01580047
Property Insights of BAS 01580047
The XLogP value of 6.9062 indicates that BAS 01580047 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.35 Ų, BAS 01580047 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 01580047 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 01580047?
The CAS number of BAS 01580047 is 307495-26-7.
What is the molecular formula of BAS 01580047?
The molecular formula of BAS 01580047 is C25H22Cl2N2O3S2.
What is the molecular weight of BAS 01580047?
The molecular weight of BAS 01580047 is 532.04 g/mol.
Where can I buy BAS 01580047?
You can request a quote for BAS 01580047 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01580047?
Yes, KEHONG BIO provides custom synthesis services for BAS 01580047 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.