C32H31N3O3S
TL;DR: C32H31N3O3S (CAS 799786-41-7) is a chemical compound with molecular formula C32H31N3O3S and molecular weight 537.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(13E)-6,8-bis(4-methoxyphenyl)-13-[(4-methoxyphenyl)methylidene]-11-methyl-4-thia-2,7,11-triazatricyclo[7.4.0.03,7]trideca-1(9),2,5-triene
Also Known As: (9E)-9-(4-methoxybenzylidene)-3,5-bis(4-methoxyphenyl)-7-methyl-6,7,8,9-tetrahydro-5H-pyrido[4,3-d][1,3]thiazolo[3,2-a]pyrimidine, (E)-9-(4-methoxybenzylidene)-3,5-bis(4-methoxyphenyl)-7-methyl-6,7,8,9-tetrahydro-5H-pyrido[4,3-d]thiazolo[3,2-a]pyrimidine
| Molecular Formula | C32H31N3O3S |
|---|---|
| Molecular Weight | 537.21 g/mol |
| LogP | 6.4536 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 537.2086 |
| Heavy Atoms | 39 |
| Complexity | 1489.1188 |
Chemical Identifiers
| CAS Number | 799786-41-7 |
|---|---|
| SMILES | CN1C/C(=C\C2=CC=C(C=C2)OC)/C3=C(C1)C(N4C(=CSC4=N3)C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC |
Product Overview
C32H31N3O3S (CAS 799786-41-7), with molecular formula C32H31N3O3S and molecular weight 537.21 g/mol. IUPAC: (13E)-6,8-bis(4-methoxyphenyl)-13-[(4-methoxyphenyl)methylidene]-11-methyl-4-thia-2,7,11-triazatricyclo[7.4.0.03,7]trideca-1(9),2,5-triene.
Chemical Property Profile of C32H31N3O3S
Property Insights of C32H31N3O3S
The XLogP value of 6.4536 indicates that C32H31N3O3S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.53 Ų, C32H31N3O3S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C32H31N3O3S has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C32H31N3O3S?
The CAS number of C32H31N3O3S is 799786-41-7.
What is the molecular formula of C32H31N3O3S?
The molecular formula of C32H31N3O3S is C32H31N3O3S.
What is the molecular weight of C32H31N3O3S?
The molecular weight of C32H31N3O3S is 537.21 g/mol.
Where can I buy C32H31N3O3S?
You can request a quote for C32H31N3O3S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C32H31N3O3S?
Yes, KEHONG BIO provides custom synthesis services for C32H31N3O3S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.