![1,3-dichloropropan-2-yl 5-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-5-oxopentanoate structure](/static/products/4450/445015-54-3.webp)
1,3-dichloropropan-2-yl 5-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-5-oxopentanoate
TL;DR: 1,3-dichloropropan-2-yl 5-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-5-oxopentanoate (CAS 445015-54-3) is a chemical compound with molecular formula C16H18Cl2N2O4S and molecular weight 404.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dichloropropan-2-yl 5-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-5-oxopentanoate
Also Known As: 1,3-dichloropropan-2-yl 5-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-5-oxopentanoate, 2-chloro-1-(chloromethyl)ethyl 5-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-5-oxopentanoate, 1,3-dichloropropan-2-yl 5-((6-methoxybenzo[d]thiazol-2-yl)amino)-5-oxopentanoate, 2-chloro-1-(chloromethyl)ethyl 4-[N-(6-methoxybenzothiazol-2-yl)carbamoyl]buta noate
| Molecular Formula | C16H18Cl2N2O4S |
|---|---|
| Molecular Weight | 404.04 g/mol |
| LogP | 3.8031 |
| Topological Polar Surface Area | 77.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 404.03644 |
| Heavy Atoms | 25 |
| Complexity | 733.99304 |
Chemical Identifiers
| CAS Number | 445015-54-3 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)N=C(S2)NC(=O)CCCC(=O)OC(CCl)CCl |
Product Overview
1,3-dichloropropan-2-yl 5-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-5-oxopentanoate (CAS 445015-54-3), with molecular formula C16H18Cl2N2O4S and molecular weight 404.04 g/mol. IUPAC: 1,3-dichloropropan-2-yl 5-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-5-oxopentanoate.
Chemical Property Profile of 1,3-dichloropropan-2-yl 5-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-5-oxopentanoate
Property Insights of 1,3-dichloropropan-2-yl 5-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-5-oxopentanoate
The XLogP value of 3.8031 indicates that 1,3-dichloropropan-2-yl 5-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-5-oxopentanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-dichloropropan-2-yl 5-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-5-oxopentanoate. Following Lipinski's Rule of Five, 1,3-dichloropropan-2-yl 5-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-5-oxopentanoate 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 1,3-dichloropropan-2-yl 5-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-5-oxopentanoate?
The CAS number of 1,3-dichloropropan-2-yl 5-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-5-oxopentanoate is 445015-54-3.
What is the molecular formula of 1,3-dichloropropan-2-yl 5-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-5-oxopentanoate?
The molecular formula of 1,3-dichloropropan-2-yl 5-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-5-oxopentanoate is C16H18Cl2N2O4S.
What is the molecular weight of 1,3-dichloropropan-2-yl 5-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-5-oxopentanoate?
The molecular weight of 1,3-dichloropropan-2-yl 5-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-5-oxopentanoate is 404.04 g/mol.
Where can I buy 1,3-dichloropropan-2-yl 5-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-5-oxopentanoate?
You can request a quote for 1,3-dichloropropan-2-yl 5-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-5-oxopentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-dichloropropan-2-yl 5-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-5-oxopentanoate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-dichloropropan-2-yl 5-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-5-oxopentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.