BAS 00655143
TL;DR: BAS 00655143 (CAS 320741-40-0) is a chemical compound with molecular formula C12H13ClN4OS and molecular weight 296.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(2-chloroethyl)-2-hydroxy-5-methylindol-3-yl]iminothiourea
Also Known As: BAS 00655143, [[1-(2-chloroethyl)-5-methyl-2-oxoindol-3-ylidene]amino]thiourea, [(E)-[1-(2-chloroethyl)-5-methyl-2-oxoindol-3-ylidene]amino]thiourea, [(Z)-[1-(2-chloroethyl)-5-methyl-2-oxoindol-3-ylidene]amino]thiourea, (E)-2-(1-(2-chloroethyl)-5-methyl-2-oxoindolin-3-ylidene)hydrazinecarbothioamide
| Molecular Formula | C12H13ClN4OS |
|---|---|
| Molecular Weight | 296.05 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 296.04987 |
| Heavy Atoms | 19 |
| Complexity | 368.0 |
Chemical Identifiers
| CAS Number | 320741-40-0 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N(C(=C2N=NC(=S)N)O)CCCl |
| InChIKey | QYCCABIUKMDKGD-UHFFFAOYSA-N |
Product Overview
BAS 00655143 (CAS 320741-40-0), with molecular formula C12H13ClN4OS and molecular weight 296.05 g/mol. IUPAC: [1-(2-chloroethyl)-2-hydroxy-5-methylindol-3-yl]iminothiourea.
Chemical Property Profile of BAS 00655143
Property Insights of BAS 00655143
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00655143. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00655143. Following Lipinski's Rule of Five, BAS 00655143 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 00655143?
The CAS number of BAS 00655143 is 320741-40-0.
What is the molecular formula of BAS 00655143?
The molecular formula of BAS 00655143 is C12H13ClN4OS.
What is the molecular weight of BAS 00655143?
The molecular weight of BAS 00655143 is 296.05 g/mol.
Where can I buy BAS 00655143?
You can request a quote for BAS 00655143 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00655143?
Yes, KEHONG BIO provides custom synthesis services for BAS 00655143 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.