1P-641S
TL;DR: 1P-641S (CAS 338393-83-2) is a chemical compound with molecular formula C21H13Cl2N3O4S2 and molecular weight 504.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitrophenyl]methyl N-(2,4-dichlorophenyl)carbamate
Also Known As: 1P-641S, [4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitrophenyl]methyl N-(2,4-dichlorophenyl)carbamate, 4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitrobenzyl N-(2,4-dichlorophenyl)carbamate, (4-benzothiazol-2-ylsulfanyl-3-nitro-phenyl)methyl N-(2,4-dichlorophenyl)carbamate, [4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitrophenyl]methylN-(2,4-dichlorophenyl)carbamate
| Molecular Formula | C21H13Cl2N3O4S2 |
|---|---|
| Molecular Weight | 504.97 g/mol |
| LogP | 7.4112 |
| Topological Polar Surface Area | 94.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 504.97244 |
| Heavy Atoms | 32 |
| Complexity | 1296.6512 |
Chemical Identifiers
| CAS Number | 338393-83-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)SC3=C(C=C(C=C3)COC(=O)NC4=C(C=C(C=C4)Cl)Cl)[N+](=O)[O-] |
Product Overview
1P-641S (CAS 338393-83-2), with molecular formula C21H13Cl2N3O4S2 and molecular weight 504.97 g/mol. IUPAC: [4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitrophenyl]methyl N-(2,4-dichlorophenyl)carbamate.
Chemical Property Profile of 1P-641S
Property Insights of 1P-641S
The XLogP value of 7.4112 indicates that 1P-641S 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 1P-641S. Following Lipinski's Rule of Five, 1P-641S 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 1P-641S?
The CAS number of 1P-641S is 338393-83-2.
What is the molecular formula of 1P-641S?
The molecular formula of 1P-641S is C21H13Cl2N3O4S2.
What is the molecular weight of 1P-641S?
The molecular weight of 1P-641S is 504.97 g/mol.
Where can I buy 1P-641S?
You can request a quote for 1P-641S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1P-641S?
Yes, KEHONG BIO provides custom synthesis services for 1P-641S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.