A4075/0173639
TL;DR: A4075/0173639 (CAS 1042767-41-8) is a chemical compound with molecular formula C26H30BrN3O4S2 and molecular weight 591.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-(1-adamantylcarbamoyl)phenyl]-1-(5-bromothiophen-2-yl)sulfonylpyrrolidine-2-carboxamide
Also Known As: A4075/0173639, N-[4-(1-adamantylcarbamoyl)phenyl]-1-(5-bromothiophen-2-yl)sulfonylpyrrolidine-2-carboxamide, 1-[(5-bromothiophen-2-yl)sulfonyl]-N-[4-(tricyclo[3.3.1.1~3,7~]dec-1-ylcarbamoyl)phenyl]prolinamide, N-{4-[(1-adamantylamino)carbonyl]phenyl}-1-[(5-bromo-2-thienyl)sulfonyl]prolinamide, N-{4-[(ADAMANTAN-1-YL)CARBAMOYL]PHENYL}-1-[(5-BROMOTHIOPHEN-2-YL)SULFONYL]PYRROLIDINE-2-CARBOXAMIDE
| Molecular Formula | C26H30BrN3O4S2 |
|---|---|
| Molecular Weight | 591.09 g/mol |
| LogP | 5.001 |
| Topological Polar Surface Area | 95.58 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 591.0861 |
| Heavy Atoms | 36 |
| Complexity | 1255.2284 |
Chemical Identifiers
| CAS Number | 1042767-41-8 |
|---|---|
| SMILES | C1CC(N(C1)S(=O)(=O)C2=CC=C(S2)Br)C(=O)NC3=CC=C(C=C3)C(=O)NC45CC6CC(C4)CC(C6)C5 |
Product Overview
A4075/0173639 (CAS 1042767-41-8), with molecular formula C26H30BrN3O4S2 and molecular weight 591.09 g/mol. IUPAC: N-[4-(1-adamantylcarbamoyl)phenyl]-1-(5-bromothiophen-2-yl)sulfonylpyrrolidine-2-carboxamide.
Chemical Property Profile of A4075/0173639
Property Insights of A4075/0173639
The XLogP value of 5.001 indicates that A4075/0173639 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.58 Ų falls within the moderate polarity range, balancing permeability and solubility for A4075/0173639. Following Lipinski's Rule of Five, A4075/0173639 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A4075/0173639?
The CAS number of A4075/0173639 is 1042767-41-8.
What is the molecular formula of A4075/0173639?
The molecular formula of A4075/0173639 is C26H30BrN3O4S2.
What is the molecular weight of A4075/0173639?
The molecular weight of A4075/0173639 is 591.09 g/mol.
Where can I buy A4075/0173639?
You can request a quote for A4075/0173639 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A4075/0173639?
Yes, KEHONG BIO provides custom synthesis services for A4075/0173639 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.