BAS 00405109
TL;DR: BAS 00405109 (CAS 324068-60-2) is a chemical compound with molecular formula C19H16Cl3N5O3S2 and molecular weight 530.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-nitro-N-[2,2,2-trichloro-1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioylamino]ethyl]benzamide
Also Known As: BAS 00405109, 2-nitro-N-[2,2,2-trichloro-1-({[(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)amino]carbothioyl}amino)ethyl]benzamide, 2-nitro-N-[2,2,2-trichloro-1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioylamino]ethyl]benzamide, 2-NITRO-N-(2,2,2-TRICHLORO-1-{[(3-CYANO-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL)CARBAMOTHIOYL]AMINO}ETHYL)BENZAMIDE
| Molecular Formula | C19H16Cl3N5O3S2 |
|---|---|
| Molecular Weight | 530.98 g/mol |
| LogP | 4.81948 |
| Topological Polar Surface Area | 120.09 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 530.976 |
| Heavy Atoms | 32 |
| Complexity | 1110.6035 |
Chemical Identifiers
| CAS Number | 324068-60-2 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C3=CC=CC=C3[N+](=O)[O-])C#N |
Product Overview
BAS 00405109 (CAS 324068-60-2), with molecular formula C19H16Cl3N5O3S2 and molecular weight 530.98 g/mol. IUPAC: 2-nitro-N-[2,2,2-trichloro-1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioylamino]ethyl]benzamide.
Chemical Property Profile of BAS 00405109
Property Insights of BAS 00405109
The XLogP value of 4.81948 indicates that BAS 00405109 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.09 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00405109. Following Lipinski's Rule of Five, BAS 00405109 has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00405109?
The CAS number of BAS 00405109 is 324068-60-2.
What is the molecular formula of BAS 00405109?
The molecular formula of BAS 00405109 is C19H16Cl3N5O3S2.
What is the molecular weight of BAS 00405109?
The molecular weight of BAS 00405109 is 530.98 g/mol.
Where can I buy BAS 00405109?
You can request a quote for BAS 00405109 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00405109?
Yes, KEHONG BIO provides custom synthesis services for BAS 00405109 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.