1,2,4-三𫫇烷
TL;DR: 1,2,4-三𫫇烷 (CAS 7049-17-4) is a chemical compound with molecular formula C30H33N3O5S and molecular weight 547.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,4-三𫫇烷
methyl 4-[1-[3-(diethylamino)propyl]-4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-5-oxo-2H-pyrrol-2-yl]benzoate
Also Known As: methyl 4-[1-[3-(diethylamino)propyl]-4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-5-oxo-2H-pyrrol-2-yl]benzoate
| Molecular Formula | C30H33N3O5S |
|---|---|
| Molecular Weight | 547.21 g/mol |
| LogP | 5.21532 |
| Topological Polar Surface Area | 100.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 547.2141 |
| Heavy Atoms | 39 |
| Complexity | 1377.3391 |
Chemical Identifiers
| CAS Number | 7049-17-4 |
|---|---|
| SMILES | CCN(CC)CCCN1C(C(=C(C1=O)O)C(=O)C2=C(N=C(S2)C3=CC=CC=C3)C)C4=CC=C(C=C4)C(=O)OC |
Product Overview
1,2,4-三𫫇烷 (CAS 7049-17-4), with molecular formula C30H33N3O5S and molecular weight 547.21 g/mol. IUPAC: methyl 4-[1-[3-(diethylamino)propyl]-4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-5-oxo-2H-pyrrol-2-yl]benzoate.
Chemical Property Profile of 1,2,4-三𫫇烷
Property Insights of 1,2,4-三𫫇烷
The XLogP value of 5.21532 indicates that 1,2,4-三𫫇烷 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,4-三𫫇烷. Following Lipinski's Rule of Five, 1,2,4-三𫫇烷 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,2,4-三𫫇烷?
The CAS number of 1,2,4-三𫫇烷 is 7049-17-4.
What is the molecular formula of 1,2,4-三𫫇烷?
The molecular formula of 1,2,4-三𫫇烷 is C30H33N3O5S.
What is the molecular weight of 1,2,4-三𫫇烷?
The molecular weight of 1,2,4-三𫫇烷 is 547.21 g/mol.
Where can I buy 1,2,4-三𫫇烷?
You can request a quote for 1,2,4-三𫫇烷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,4-三𫫇烷?
Yes, KEHONG BIO provides custom synthesis services for 1,2,4-三𫫇烷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.