BAS 03058313
TL;DR: BAS 03058313 (CAS 333758-60-4) is a chemical compound with molecular formula C24H35N3OS and molecular weight 413.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-cyclohexyl-1-[3-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]propyl]-3-phenylthiourea
Also Known As: BAS 03058313, 1-cyclohexyl-1-{3-[(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino]propyl}-3-phenylthiourea, 1-cyclohexyl-1-(3-((5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino)propyl)-3-phenylthiourea, 1-cyclohexyl-1-[3-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]propyl]-3-phenylthiourea, 3-[(3-{cyclohexyl[(phenylamino)thioxomethyl]amino}propyl)amino]-5,5-dimethylcy clohex-2-en-1-one
| Molecular Formula | C24H35N3OS |
|---|---|
| Molecular Weight | 413.25 g/mol |
| LogP | 5.2708 |
| Topological Polar Surface Area | 44.37 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 413.2501 |
| Heavy Atoms | 29 |
| Complexity | 722.9011 |
Chemical Identifiers
| CAS Number | 333758-60-4 |
|---|---|
| SMILES | CC1(CC(=CC(=O)C1)NCCCN(C2CCCCC2)C(=S)NC3=CC=CC=C3)C |
Product Overview
BAS 03058313 (CAS 333758-60-4), with molecular formula C24H35N3OS and molecular weight 413.25 g/mol. IUPAC: 1-cyclohexyl-1-[3-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]propyl]-3-phenylthiourea.
Chemical Property Profile of BAS 03058313
Property Insights of BAS 03058313
The XLogP value of 5.2708 indicates that BAS 03058313 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.37 Ų, BAS 03058313 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 03058313 has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 03058313?
The CAS number of BAS 03058313 is 333758-60-4.
What is the molecular formula of BAS 03058313?
The molecular formula of BAS 03058313 is C24H35N3OS.
What is the molecular weight of BAS 03058313?
The molecular weight of BAS 03058313 is 413.25 g/mol.
Where can I buy BAS 03058313?
You can request a quote for BAS 03058313 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03058313?
Yes, KEHONG BIO provides custom synthesis services for BAS 03058313 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.