BAS 00333789
TL;DR: BAS 00333789 (CAS 329208-57-3) is a chemical compound with molecular formula C15H29N3O2S and molecular weight 315.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[2-(2-hydroxy-2-methylpropyl)-5-methylhexanoyl]amino]-3-prop-2-enylthiourea
Also Known As: BAS 00333789, 1-[[2-(2-hydroxy-2-methylpropyl)-5-methylhexanoyl]amino]-3-prop-2-enylthiourea, 2-(2-hydroxy-2-methylpropyl)-5-methyl-N-{[(prop-2-enylamino)thioxomethyl]amino }hexanamide, N-allyl-2-(2-(2-hydroxy-2-methylpropyl)-5-methylhexanoyl)hydrazinecarbothioamide, 2-[2-(2-hydroxy-2-methylpropyl)-5-methylhexanoyl]-N-(prop-2-en-1-yl)hydrazinecarbothioamide
| Molecular Formula | C15H29N3O2S |
|---|---|
| Molecular Weight | 315.20 g/mol |
| LogP | 1.8811 |
| Topological Polar Surface Area | 73.39 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 315.19806 |
| Heavy Atoms | 21 |
| Complexity | 351.3181 |
Chemical Identifiers
| CAS Number | 329208-57-3 |
|---|---|
| SMILES | CC(C)CCC(CC(C)(C)O)C(=O)NNC(=S)NCC=C |
Product Overview
BAS 00333789 (CAS 329208-57-3), with molecular formula C15H29N3O2S and molecular weight 315.20 g/mol. IUPAC: 1-[[2-(2-hydroxy-2-methylpropyl)-5-methylhexanoyl]amino]-3-prop-2-enylthiourea.
Chemical Property Profile of BAS 00333789
Property Insights of BAS 00333789
The XLogP value of 1.8811 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00333789. The TPSA of 73.39 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00333789. Following Lipinski's Rule of Five, BAS 00333789 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 00333789?
The CAS number of BAS 00333789 is 329208-57-3.
What is the molecular formula of BAS 00333789?
The molecular formula of BAS 00333789 is C15H29N3O2S.
What is the molecular weight of BAS 00333789?
The molecular weight of BAS 00333789 is 315.20 g/mol.
Where can I buy BAS 00333789?
You can request a quote for BAS 00333789 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00333789?
Yes, KEHONG BIO provides custom synthesis services for BAS 00333789 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.