UPCMLD0ENAT0501-6479:001
TL;DR: UPCMLD0ENAT0501-6479:001 (CAS 312914-16-2) is a chemical compound with molecular formula C19H18BrN3O3S2 and molecular weight 479.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-pyrrolidin-1-ylsulfonylbenzamide
Also Known As: UPCMLD0ENAT0501-6479:001, AE-848/11783017, F0014-0106, N-[(2E)-6-bromo-3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]-4-(pyrrolidine-1-sulfonyl)benzamide, (E)-N-(6-bromo-3-methylbenzo[d]thiazol-2(3H)-ylidene)-4-(pyrrolidin-1-ylsulfonyl)benzamide
| Molecular Formula | C19H18BrN3O3S2 |
|---|---|
| Molecular Weight | 479.00 g/mol |
| LogP | 3.5279 |
| Topological Polar Surface Area | 71.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 478.9973 |
| Heavy Atoms | 28 |
| Complexity | 1221.5375 |
Chemical Identifiers
| CAS Number | 312914-16-2 |
|---|---|
| SMILES | CN1C2=C(C=C(C=C2)Br)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4 |
Product Overview
UPCMLD0ENAT0501-6479:001 (CAS 312914-16-2), with molecular formula C19H18BrN3O3S2 and molecular weight 479.00 g/mol. IUPAC: N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-pyrrolidin-1-ylsulfonylbenzamide.
Chemical Property Profile of UPCMLD0ENAT0501-6479:001
Property Insights of UPCMLD0ENAT0501-6479:001
The XLogP value of 3.5279 indicates that UPCMLD0ENAT0501-6479:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.74 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT0501-6479:001. Following Lipinski's Rule of Five, UPCMLD0ENAT0501-6479:001 has 0 hydrogen bond donor(s) and 4 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 UPCMLD0ENAT0501-6479:001?
The CAS number of UPCMLD0ENAT0501-6479:001 is 312914-16-2.
What is the molecular formula of UPCMLD0ENAT0501-6479:001?
The molecular formula of UPCMLD0ENAT0501-6479:001 is C19H18BrN3O3S2.
What is the molecular weight of UPCMLD0ENAT0501-6479:001?
The molecular weight of UPCMLD0ENAT0501-6479:001 is 479.00 g/mol.
Where can I buy UPCMLD0ENAT0501-6479:001?
You can request a quote for UPCMLD0ENAT0501-6479:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT0501-6479:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT0501-6479:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.