N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)adamantane-1-carboxamide
TL;DR: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)adamantane-1-carboxamide (CAS 329905-39-7) is a chemical compound with molecular formula C19H21N3O4S and molecular weight 387.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)adamantane-1-carboxamide
Also Known As: ChemDiv1_005645, N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)adamantane-1-carboxamide, F0161-0162, (3R,5R)-N-(4-methoxy-6-nitrobenzo[d]thiazol-2-yl)adamantane-1-carboxamide
| Molecular Formula | C19H21N3O4S |
|---|---|
| Molecular Weight | 387.13 g/mol |
| LogP | 4.368 |
| Topological Polar Surface Area | 94.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 387.12527 |
| Heavy Atoms | 27 |
| Complexity | 918.5388 |
Chemical Identifiers
| CAS Number | 329905-39-7 |
|---|---|
| SMILES | COC1=C2C(=CC(=C1)[N+](=O)[O-])SC(=N2)NC(=O)C34CC5CC(C3)CC(C5)C4 |
Product Overview
N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)adamantane-1-carboxamide (CAS 329905-39-7), with molecular formula C19H21N3O4S and molecular weight 387.13 g/mol. IUPAC: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)adamantane-1-carboxamide.
Chemical Property Profile of N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)adamantane-1-carboxamide
Property Insights of N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)adamantane-1-carboxamide
The XLogP value of 4.368 indicates that N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)adamantane-1-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.36 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)adamantane-1-carboxamide. Following Lipinski's Rule of Five, N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)adamantane-1-carboxamide has 1 hydrogen bond donor(s) and 6 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-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)adamantane-1-carboxamide?
The CAS number of N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)adamantane-1-carboxamide is 329905-39-7.
What is the molecular formula of N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)adamantane-1-carboxamide?
The molecular formula of N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)adamantane-1-carboxamide is C19H21N3O4S.
What is the molecular weight of N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)adamantane-1-carboxamide?
The molecular weight of N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)adamantane-1-carboxamide is 387.13 g/mol.
Where can I buy N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)adamantane-1-carboxamide?
You can request a quote for N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)adamantane-1-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)adamantane-1-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)adamantane-1-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.