BAS 00655141
TL;DR: BAS 00655141 (CAS 327170-08-1) 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-7-methylindol-3-yl]iminothiourea
Also Known As: BAS 00655141, [[1-(2-chloroethyl)-7-methyl-2-oxoindol-3-ylidene]amino]thiourea, [(E)-[1-(2-chloroethyl)-7-methyl-2-oxoindol-3-ylidene]amino]thiourea, [(Z)-[1-(2-chloroethyl)-7-methyl-2-oxoindol-3-ylidene]amino]thiourea, (E)-2-(1-(2-chloroethyl)-7-methyl-2-oxoindolin-3-ylidene)hydrazinecarbothioamide
| Molecular Formula | C12H13ClN4OS |
|---|---|
| Molecular Weight | 296.05 g/mol |
| LogP | 3.22142 |
| Topological Polar Surface Area | 75.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 296.04987 |
| Heavy Atoms | 19 |
| Complexity | 665.2834 |
Chemical Identifiers
| CAS Number | 327170-08-1 |
|---|---|
| SMILES | CC1=C2C(=CC=C1)C(=C(N2CCCl)O)N=NC(=S)N |
Product Overview
BAS 00655141 (CAS 327170-08-1), with molecular formula C12H13ClN4OS and molecular weight 296.05 g/mol. IUPAC: [1-(2-chloroethyl)-2-hydroxy-7-methylindol-3-yl]iminothiourea.
Chemical Property Profile of BAS 00655141
Property Insights of BAS 00655141
The XLogP value of 3.22142 indicates that BAS 00655141 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 00655141. Following Lipinski's Rule of Five, BAS 00655141 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 00655141?
The CAS number of BAS 00655141 is 327170-08-1.
What is the molecular formula of BAS 00655141?
The molecular formula of BAS 00655141 is C12H13ClN4OS.
What is the molecular weight of BAS 00655141?
The molecular weight of BAS 00655141 is 296.05 g/mol.
Where can I buy BAS 00655141?
You can request a quote for BAS 00655141 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00655141?
Yes, KEHONG BIO provides custom synthesis services for BAS 00655141 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.