N-(1,3lambda4-dithia-2,4-diazacyclopenta-2,3-dien-5-ylidene)-4-methylbenzamide
TL;DR: N-(1,3lambda4-dithia-2,4-diazacyclopenta-2,3-dien-5-ylidene)-4-methylbenzamide (CAS 7240-21-3) is a chemical compound with molecular formula C9H7N3OS2 and molecular weight 237.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3λ4-dithia-2,4-diazacyclopenta-2,3-dien-5-ylidene)-4-methylbenzamide
Also Known As: N-(1,3, N-(1,3,2,4-Dithiadiazol-3-SIV-5-ylidene)-p-methylbenzamide, 4-methyl-N-(5H-1,3lambda4,2,4-dithiadiazol-5-ylidene)benzamide, Benzamide, N-5H-1,3,2,4-dithia(3-SIV)diazol-5-ylidene-4-methyl-, N-(1,3$l^{4}-dithia-2,4-diazacyclopenta-2,3-dien-5-ylidene)-4-methyl-benzamide
| Molecular Formula | C9H7N3OS2 |
|---|---|
| Molecular Weight | 237.00 g/mol |
| LogP | 2.60282 |
| Topological Polar Surface Area | 54.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 237.00305 |
| Heavy Atoms | 15 |
| Complexity | 486.58386 |
Chemical Identifiers
| CAS Number | 7240-21-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)N=C2N=S=NS2 |
Product Overview
N-(1,3lambda4-dithia-2,4-diazacyclopenta-2,3-dien-5-ylidene)-4-methylbenzamide (CAS 7240-21-3), with molecular formula C9H7N3OS2 and molecular weight 237.00 g/mol. IUPAC: N-(1,3λ4-dithia-2,4-diazacyclopenta-2,3-dien-5-ylidene)-4-methylbenzamide.
Chemical Property Profile of N-(1,3lambda4-dithia-2,4-diazacyclopenta-2,3-dien-5-ylidene)-4-methylbenzamide
Property Insights of N-(1,3lambda4-dithia-2,4-diazacyclopenta-2,3-dien-5-ylidene)-4-methylbenzamide
The XLogP value of 2.60282 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,3lambda4-dithia-2,4-diazacyclopenta-2,3-dien-5-ylidene)-4-methylbenzamide. With a topological polar surface area (TPSA) of 54.15 Ų, N-(1,3lambda4-dithia-2,4-diazacyclopenta-2,3-dien-5-ylidene)-4-methylbenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1,3lambda4-dithia-2,4-diazacyclopenta-2,3-dien-5-ylidene)-4-methylbenzamide has 0 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 N-(1,3lambda4-dithia-2,4-diazacyclopenta-2,3-dien-5-ylidene)-4-methylbenzamide?
The CAS number of N-(1,3lambda4-dithia-2,4-diazacyclopenta-2,3-dien-5-ylidene)-4-methylbenzamide is 7240-21-3.
What is the molecular formula of N-(1,3lambda4-dithia-2,4-diazacyclopenta-2,3-dien-5-ylidene)-4-methylbenzamide?
The molecular formula of N-(1,3lambda4-dithia-2,4-diazacyclopenta-2,3-dien-5-ylidene)-4-methylbenzamide is C9H7N3OS2.
What is the molecular weight of N-(1,3lambda4-dithia-2,4-diazacyclopenta-2,3-dien-5-ylidene)-4-methylbenzamide?
The molecular weight of N-(1,3lambda4-dithia-2,4-diazacyclopenta-2,3-dien-5-ylidene)-4-methylbenzamide is 237.00 g/mol.
Where can I buy N-(1,3lambda4-dithia-2,4-diazacyclopenta-2,3-dien-5-ylidene)-4-methylbenzamide?
You can request a quote for N-(1,3lambda4-dithia-2,4-diazacyclopenta-2,3-dien-5-ylidene)-4-methylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,3lambda4-dithia-2,4-diazacyclopenta-2,3-dien-5-ylidene)-4-methylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3lambda4-dithia-2,4-diazacyclopenta-2,3-dien-5-ylidene)-4-methylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.