BAS 00655139
TL;DR: BAS 00655139 (CAS 320741-41-1) is a chemical compound with molecular formula C13H15ClN4OS and molecular weight 310.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(4-chlorobutyl)-2-hydroxyindol-3-yl]iminothiourea
Also Known As: BAS 00655139, [[1-(4-chlorobutyl)-2-oxoindol-3-ylidene]amino]thiourea, [(E)-[1-(4-chlorobutyl)-2-oxoindol-3-ylidene]amino]thiourea, [(Z)-[1-(4-chlorobutyl)-2-oxoindol-3-ylidene]amino]thiourea, (E)-2-(1-(4-chlorobutyl)-2-oxoindolin-3-ylidene)hydrazinecarbothioamide
| Molecular Formula | C13H15ClN4OS |
|---|---|
| Molecular Weight | 310.07 g/mol |
| LogP | 3.6932 |
| Topological Polar Surface Area | 75.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 310.06552 |
| Heavy Atoms | 20 |
| Complexity | 653.1037 |
Chemical Identifiers
| CAS Number | 320741-41-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C(N2CCCCCl)O)N=NC(=S)N |
Product Overview
BAS 00655139 (CAS 320741-41-1), with molecular formula C13H15ClN4OS and molecular weight 310.07 g/mol. IUPAC: [1-(4-chlorobutyl)-2-hydroxyindol-3-yl]iminothiourea.
Chemical Property Profile of BAS 00655139
Property Insights of BAS 00655139
The XLogP value of 3.6932 indicates that BAS 00655139 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.9 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00655139. Following Lipinski's Rule of Five, BAS 00655139 has 2 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 00655139?
The CAS number of BAS 00655139 is 320741-41-1.
What is the molecular formula of BAS 00655139?
The molecular formula of BAS 00655139 is C13H15ClN4OS.
What is the molecular weight of BAS 00655139?
The molecular weight of BAS 00655139 is 310.07 g/mol.
Where can I buy BAS 00655139?
You can request a quote for BAS 00655139 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00655139?
Yes, KEHONG BIO provides custom synthesis services for BAS 00655139 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.