BAS 00333788
TL;DR: BAS 00333788 (CAS 327167-97-5) is a chemical compound with molecular formula C14H27N3O2S and molecular weight 301.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(2-hydroxy-2-methylpropyl)hexanoylamino]-3-prop-2-enylthiourea
Also Known As: BAS 00333788, 1-[2-(2-hydroxy-2-methylpropyl)hexanoylamino]-3-prop-2-enylthiourea, N-allyl-2-(2-(2-hydroxy-2-methylpropyl)hexanoyl)hydrazinecarbothioamide, 2-(2-hydroxy-2-methylpropyl)-N-{[(prop-2-enylamino)thioxomethyl]amino}hexanami de, 2-[2-(2-hydroxy-2-methylpropyl)hexanoyl]-N-(prop-2-en-1-yl)hydrazinecarbothioamide
| Molecular Formula | C14H27N3O2S |
|---|---|
| Molecular Weight | 301.18 g/mol |
| LogP | 1.6351 |
| Topological Polar Surface Area | 73.39 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 301.1824 |
| Heavy Atoms | 20 |
| Complexity | 326.87094 |
Chemical Identifiers
| CAS Number | 327167-97-5 |
|---|---|
| SMILES | CCCCC(CC(C)(C)O)C(=O)NNC(=S)NCC=C |
Product Overview
BAS 00333788 (CAS 327167-97-5), with molecular formula C14H27N3O2S and molecular weight 301.18 g/mol. IUPAC: 1-[2-(2-hydroxy-2-methylpropyl)hexanoylamino]-3-prop-2-enylthiourea.
Chemical Property Profile of BAS 00333788
Property Insights of BAS 00333788
The XLogP value of 1.6351 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00333788. The TPSA of 73.39 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00333788. Following Lipinski's Rule of Five, BAS 00333788 has 4 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 BAS 00333788?
The CAS number of BAS 00333788 is 327167-97-5.
What is the molecular formula of BAS 00333788?
The molecular formula of BAS 00333788 is C14H27N3O2S.
What is the molecular weight of BAS 00333788?
The molecular weight of BAS 00333788 is 301.18 g/mol.
Where can I buy BAS 00333788?
You can request a quote for BAS 00333788 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00333788?
Yes, KEHONG BIO provides custom synthesis services for BAS 00333788 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.