![2-chloro-N-[3-(2,3-dihydroxypropylsulfanyl)-5-nitrophenyl]-5-(tetrazol-1-yl)benzamide structure](/static/products/4382/438236-65-8.webp)
2-chloro-N-[3-(2,3-dihydroxypropylsulfanyl)-5-nitrophenyl]-5-(tetrazol-1-yl)benzamide
TL;DR: 2-chloro-N-[3-(2,3-dihydroxypropylsulfanyl)-5-nitrophenyl]-5-(tetrazol-1-yl)benzamide (CAS 438236-65-8) is a chemical compound with molecular formula C17H15ClN6O5S and molecular weight 450.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-[3-(2,3-dihydroxypropylsulfanyl)-5-nitrophenyl]-5-(tetrazol-1-yl)benzamide
Also Known As: 2-chloro-N-[3-(2,3-dihydroxypropylsulfanyl)-5-nitrophenyl]-5-(tetrazol-1-yl)benzamide, 2-chloro-N-{3-[(2,3-dihydroxypropyl)sulfanyl]-5-nitrophenyl}-5-(1H-tetrazol-1-yl)benzamide, 2-CHLORO-N-{3-[(2,3-DIHYDROXYPROPYL)SULFANYL]-5-NITROPHENYL}-5-(1H-1,2,3,4-TETRAAZOL-1-YL)BENZAMIDE, 2-chloro-N-{3-[(2,3-dihydroxypropyl)sulfanyl]-5-nitrophenyl}-5-(1H-tetraazol-1-yl)benzamide
| Molecular Formula | C17H15ClN6O5S |
|---|---|
| Molecular Weight | 450.05 g/mol |
| LogP | 1.9215 |
| Topological Polar Surface Area | 156.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 450.05133 |
| Heavy Atoms | 30 |
| Complexity | 1064.7972 |
Chemical Identifiers
| CAS Number | 438236-65-8 |
|---|---|
| SMILES | C1=CC(=C(C=C1N2C=NN=N2)C(=O)NC3=CC(=CC(=C3)SCC(CO)O)[N+](=O)[O-])Cl |
Product Overview
2-chloro-N-[3-(2,3-dihydroxypropylsulfanyl)-5-nitrophenyl]-5-(tetrazol-1-yl)benzamide (CAS 438236-65-8), with molecular formula C17H15ClN6O5S and molecular weight 450.05 g/mol. IUPAC: 2-chloro-N-[3-(2,3-dihydroxypropylsulfanyl)-5-nitrophenyl]-5-(tetrazol-1-yl)benzamide.
Chemical Property Profile of 2-chloro-N-[3-(2,3-dihydroxypropylsulfanyl)-5-nitrophenyl]-5-(tetrazol-1-yl)benzamide
Property Insights of 2-chloro-N-[3-(2,3-dihydroxypropylsulfanyl)-5-nitrophenyl]-5-(tetrazol-1-yl)benzamide
The XLogP value of 1.9215 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-chloro-N-[3-(2,3-dihydroxypropylsulfanyl)-5-nitrophenyl]-5-(tetrazol-1-yl)benzamide. The TPSA of 156.3 Ų indicates high polarity, suggesting 2-chloro-N-[3-(2,3-dihydroxypropylsulfanyl)-5-nitrophenyl]-5-(tetrazol-1-yl)benzamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-chloro-N-[3-(2,3-dihydroxypropylsulfanyl)-5-nitrophenyl]-5-(tetrazol-1-yl)benzamide has 3 hydrogen bond donor(s) and 9 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 2-chloro-N-[3-(2,3-dihydroxypropylsulfanyl)-5-nitrophenyl]-5-(tetrazol-1-yl)benzamide?
The CAS number of 2-chloro-N-[3-(2,3-dihydroxypropylsulfanyl)-5-nitrophenyl]-5-(tetrazol-1-yl)benzamide is 438236-65-8.
What is the molecular formula of 2-chloro-N-[3-(2,3-dihydroxypropylsulfanyl)-5-nitrophenyl]-5-(tetrazol-1-yl)benzamide?
The molecular formula of 2-chloro-N-[3-(2,3-dihydroxypropylsulfanyl)-5-nitrophenyl]-5-(tetrazol-1-yl)benzamide is C17H15ClN6O5S.
What is the molecular weight of 2-chloro-N-[3-(2,3-dihydroxypropylsulfanyl)-5-nitrophenyl]-5-(tetrazol-1-yl)benzamide?
The molecular weight of 2-chloro-N-[3-(2,3-dihydroxypropylsulfanyl)-5-nitrophenyl]-5-(tetrazol-1-yl)benzamide is 450.05 g/mol.
Where can I buy 2-chloro-N-[3-(2,3-dihydroxypropylsulfanyl)-5-nitrophenyl]-5-(tetrazol-1-yl)benzamide?
You can request a quote for 2-chloro-N-[3-(2,3-dihydroxypropylsulfanyl)-5-nitrophenyl]-5-(tetrazol-1-yl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-chloro-N-[3-(2,3-dihydroxypropylsulfanyl)-5-nitrophenyl]-5-(tetrazol-1-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-N-[3-(2,3-dihydroxypropylsulfanyl)-5-nitrophenyl]-5-(tetrazol-1-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.