C31H33N3O7S
TL;DR: C31H33N3O7S (CAS 1024593-90-5) is a chemical compound with molecular formula C31H33N3O7S and molecular weight 591.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(benzenesulfonyl)-N-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl]pyrrolidine-2-carboxamide
Also Known As: A3147/0133037, 1-(benzenesulfonyl)-N-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl]pyrrolidine-2-carboxamide, N-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-1-(phenylsulfonyl)pyrrolidine-2-carboxamide, N-{2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl}-1-(phenylsulfonyl)prolinamide
| Molecular Formula | C31H33N3O7S |
|---|---|
| Molecular Weight | 591.20 g/mol |
| LogP | 4.6518 |
| Topological Polar Surface Area | 116.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 591.2039 |
| Heavy Atoms | 42 |
| Complexity | 1711.1998 |
Chemical Identifiers
| CAS Number | 1024593-90-5 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)C=CN=C2CC3=CC(=C(C=C3NC(=O)C4CCCN4S(=O)(=O)C5=CC=CC=C5)OC)OC)OC |
Product Overview
C31H33N3O7S (CAS 1024593-90-5), with molecular formula C31H33N3O7S and molecular weight 591.20 g/mol. IUPAC: 1-(benzenesulfonyl)-N-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl]pyrrolidine-2-carboxamide.
Chemical Property Profile of C31H33N3O7S
Property Insights of C31H33N3O7S
The XLogP value of 4.6518 indicates that C31H33N3O7S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.29 Ų falls within the moderate polarity range, balancing permeability and solubility for C31H33N3O7S. Following Lipinski's Rule of Five, C31H33N3O7S has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C31H33N3O7S?
The CAS number of C31H33N3O7S is 1024593-90-5.
What is the molecular formula of C31H33N3O7S?
The molecular formula of C31H33N3O7S is C31H33N3O7S.
What is the molecular weight of C31H33N3O7S?
The molecular weight of C31H33N3O7S is 591.20 g/mol.
Where can I buy C31H33N3O7S?
You can request a quote for C31H33N3O7S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C31H33N3O7S?
Yes, KEHONG BIO provides custom synthesis services for C31H33N3O7S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.