![methyl 5-{N-[4-(6-methylbenzothiazol-2-yl)phenyl]carbamoyl}-3-nitrobenzoate structure](/static/products/3494/349440-00-2.webp)
methyl 5-{N-[4-(6-methylbenzothiazol-2-yl)phenyl]carbamoyl}-3-nitrobenzoate
TL;DR: methyl 5-{N-[4-(6-methylbenzothiazol-2-yl)phenyl]carbamoyl}-3-nitrobenzoate (CAS 349440-00-2) is a chemical compound with molecular formula C23H17N3O5S and molecular weight 447.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamoyl]-5-nitrobenzoate
Also Known As: Methyl 3-[[4-(6-methylbenzothiazol-2-yl)phenyl]carbamoyl]-5-nitro-benzoate, methyl 3-((4-(6-methylbenzo[d]thiazol-2-yl)phenyl)carbamoyl)-5-nitrobenzoate, methyl 3-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamoyl]-5-nitrobenzoate, METHYL 3-{[4-(6-METHYL-1,3-BENZOTHIAZOL-2-YL)ANILINO]CARBONYL}-5-NITROBENZOATE, methyl 3-{[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamoyl}-5-nitrobenzoate
| Molecular Formula | C23H17N3O5S |
|---|---|
| Molecular Weight | 447.09 g/mol |
| LogP | 5.21882 |
| Topological Polar Surface Area | 111.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 447.0889 |
| Heavy Atoms | 32 |
| Complexity | 1362.077 |
Chemical Identifiers
| CAS Number | 349440-00-2 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])C(=O)OC |
Product Overview
methyl 5-{N-[4-(6-methylbenzothiazol-2-yl)phenyl]carbamoyl}-3-nitrobenzoate (CAS 349440-00-2), with molecular formula C23H17N3O5S and molecular weight 447.09 g/mol. IUPAC: methyl 3-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamoyl]-5-nitrobenzoate.
Chemical Property Profile of methyl 5-{N-[4-(6-methylbenzothiazol-2-yl)phenyl]carbamoyl}-3-nitrobenzoate
Property Insights of methyl 5-{N-[4-(6-methylbenzothiazol-2-yl)phenyl]carbamoyl}-3-nitrobenzoate
The XLogP value of 5.21882 indicates that methyl 5-{N-[4-(6-methylbenzothiazol-2-yl)phenyl]carbamoyl}-3-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.43 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 5-{N-[4-(6-methylbenzothiazol-2-yl)phenyl]carbamoyl}-3-nitrobenzoate. Following Lipinski's Rule of Five, methyl 5-{N-[4-(6-methylbenzothiazol-2-yl)phenyl]carbamoyl}-3-nitrobenzoate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 5-{N-[4-(6-methylbenzothiazol-2-yl)phenyl]carbamoyl}-3-nitrobenzoate?
The CAS number of methyl 5-{N-[4-(6-methylbenzothiazol-2-yl)phenyl]carbamoyl}-3-nitrobenzoate is 349440-00-2.
What is the molecular formula of methyl 5-{N-[4-(6-methylbenzothiazol-2-yl)phenyl]carbamoyl}-3-nitrobenzoate?
The molecular formula of methyl 5-{N-[4-(6-methylbenzothiazol-2-yl)phenyl]carbamoyl}-3-nitrobenzoate is C23H17N3O5S.
What is the molecular weight of methyl 5-{N-[4-(6-methylbenzothiazol-2-yl)phenyl]carbamoyl}-3-nitrobenzoate?
The molecular weight of methyl 5-{N-[4-(6-methylbenzothiazol-2-yl)phenyl]carbamoyl}-3-nitrobenzoate is 447.09 g/mol.
Where can I buy methyl 5-{N-[4-(6-methylbenzothiazol-2-yl)phenyl]carbamoyl}-3-nitrobenzoate?
You can request a quote for methyl 5-{N-[4-(6-methylbenzothiazol-2-yl)phenyl]carbamoyl}-3-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 5-{N-[4-(6-methylbenzothiazol-2-yl)phenyl]carbamoyl}-3-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 5-{N-[4-(6-methylbenzothiazol-2-yl)phenyl]carbamoyl}-3-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.