Butanoic acid,4-mercapto
TL;DR: Butanoic acid,4-mercapto (CAS 130953-29-6) is a chemical compound with molecular formula C23H26N2O2 and molecular weight 362.19943 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6,6-dimethyl-2-phenyl-3-(4-propan-2-yloxyphenyl)-4,7-dihydropyrano[4,3-c]pyrazole
Also Known As: Butanoic acid,4-mercapto, Pyrano(4,3-c)pyrazole, 2,4,6,7-tetrahydro-6,6-dimethyl-3-(4-(1-methylethoxy)phenyl)-2-phenyl-, 6,6-Dimethyl-3-(4-(1-methylethoxy)phenyl)-2-phenyl-2,4,6,7-tetrahydro-pyrano(4,3-c)pyrazole, 6,6-dimethyl-2-phenyl-3-(4-propan-2-yloxyphenyl)-4,7-dihydropyrano[4,3-c]pyrazole, 6,6-Dimethyl-2-phenyl-3-{4-[(propan-2-yl)oxy]phenyl}-2,4,6,7-tetrahydropyrano[4,3-c]pyrazole
Technical Specifications
| Molecular Formula | C23H26N2O2 |
| Molecular Weight | 362.19943 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 36.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 362.19943 Da |
| Heavy Atoms | 27 |
| Complexity | 481.0 |
| SMILES | CC(C)OC1=CC=C(C=C1)C2=C3COC(CC3=NN2C4=CC=CC=C4)(C)C |
| InChIKey | XWOJKEVORNWXTD-UHFFFAOYSA-N |
Chemical Property Profile of Butanoic acid,4-mercapto
Property Insights of Butanoic acid,4-mercapto
The XLogP value of 4.7 indicates that Butanoic acid,4-mercapto is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.3 Ų, Butanoic acid,4-mercapto exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butanoic acid,4-mercapto has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Butanoic acid,4-mercapto?
The CAS number of Butanoic acid,4-mercapto is 130953-29-6.
What is the molecular formula of Butanoic acid,4-mercapto?
The molecular formula of Butanoic acid,4-mercapto is C23H26N2O2.
What is the molecular weight of Butanoic acid,4-mercapto?
The molecular weight of Butanoic acid,4-mercapto is 362.19943 g/mol.
Where can I buy Butanoic acid,4-mercapto?
You can request a quote for Butanoic acid,4-mercapto directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Butanoic acid,4-mercapto?
Yes, CoreyChem provides custom synthesis services for Butanoic acid,4-mercapto and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.