万古胺
TL;DR: 万古胺 (CAS 36480-36-1) is a chemical compound with molecular formula C14H24BrNOS and molecular weight 333.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
万古胺
4-[di(propan-2-yl)amino]-1-thiophen-3-ylbutan-1-one;hydrobromide
Also Known As: 5-n-Butyl-2-methylolpyridin, 1-Butanone, 4-(diisopropylamino)-1-(3-thienyl)-, hydrobromide, 4-(Diisopropylamino)-1-(3-thienyl)-1-butanone hydrobromide, (Thienyl-3)(gamma-di-isopropylamino-propyl)ketone hydrobromide, 4-(dipropan-2-ylamino)-1-(thiophen-3-yl)butan-1-one hydrobromide(1:1)
| Molecular Formula | C14H24BrNOS |
|---|---|
| Molecular Weight | 333.08 g/mol |
| LogP | 4.4077 |
| Topological Polar Surface Area | 48.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 333.0762 |
| Heavy Atoms | 18 |
| Complexity | 232.0 |
Chemical Identifiers
| CAS Number | 36480-36-1 |
|---|---|
| SMILES | CC(C)N(CCCC(=O)C1=CSC=C1)C(C)C.Br |
| InChIKey | GINUTJCMMIQYIB-UHFFFAOYSA-N |
Product Overview
万古胺 (CAS 36480-36-1), with molecular formula C14H24BrNOS and molecular weight 333.08 g/mol. IUPAC: 4-[di(propan-2-yl)amino]-1-thiophen-3-ylbutan-1-one;hydrobromide.
Chemical Property Profile of 万古胺
Property Insights of 万古胺
The XLogP value of 4.4077 indicates that 万古胺 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.6 Ų, 万古胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 万古胺 has 1 hydrogen bond donor(s) and 3 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 万古胺?
The CAS number of 万古胺 is 36480-36-1.
What is the molecular formula of 万古胺?
The molecular formula of 万古胺 is C14H24BrNOS.
What is the molecular weight of 万古胺?
The molecular weight of 万古胺 is 333.08 g/mol.
Where can I buy 万古胺?
You can request a quote for 万古胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 万古胺?
Yes, KEHONG BIO provides custom synthesis services for 万古胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.