UPCMLD0ENAT5271603:001
TL;DR: UPCMLD0ENAT5271603:001 (CAS 326616-91-5) is a chemical compound with molecular formula C22H27N3O5S and molecular weight 445.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-[4-[3-[(3,4-dimethylphenyl)carbamoyl]piperidin-1-yl]sulfonylphenyl]carbamate
Also Known As: UPCMLD0ENAT5271603:001, F1686-0057, methyl N-[4-({3-[(3,4-dimethylphenyl)carbamoyl]piperidin-1-yl}sulfonyl)phenyl]carbamate, methyl (4-((3-((3,4-dimethylphenyl)carbamoyl)piperidin-1-yl)sulfonyl)phenyl)carbamate, methyl N-[4-[3-[(3,4-dimethylphenyl)carbamoyl]piperidin-1-yl]sulfonylphenyl]carbamate
| Molecular Formula | C22H27N3O5S |
|---|---|
| Molecular Weight | 445.17 g/mol |
| LogP | 3.52114 |
| Topological Polar Surface Area | 104.81 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 445.16714 |
| Heavy Atoms | 31 |
| Complexity | 1067.054 |
Chemical Identifiers
| CAS Number | 326616-91-5 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)NC(=O)OC)C |
Product Overview
UPCMLD0ENAT5271603:001 (CAS 326616-91-5), with molecular formula C22H27N3O5S and molecular weight 445.17 g/mol. IUPAC: methyl N-[4-[3-[(3,4-dimethylphenyl)carbamoyl]piperidin-1-yl]sulfonylphenyl]carbamate.
Chemical Property Profile of UPCMLD0ENAT5271603:001
Property Insights of UPCMLD0ENAT5271603:001
The XLogP value of 3.52114 indicates that UPCMLD0ENAT5271603:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.81 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5271603:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5271603:001 has 2 hydrogen bond donor(s) and 5 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 UPCMLD0ENAT5271603:001?
The CAS number of UPCMLD0ENAT5271603:001 is 326616-91-5.
What is the molecular formula of UPCMLD0ENAT5271603:001?
The molecular formula of UPCMLD0ENAT5271603:001 is C22H27N3O5S.
What is the molecular weight of UPCMLD0ENAT5271603:001?
The molecular weight of UPCMLD0ENAT5271603:001 is 445.17 g/mol.
Where can I buy UPCMLD0ENAT5271603:001?
You can request a quote for UPCMLD0ENAT5271603:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5271603:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5271603:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.