AB00662939-06
TL;DR: AB00662939-06 (CAS 5587-05-3) is a chemical compound with molecular formula C18H21N3O6S and molecular weight 407.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate
Also Known As: AB00662939-06, [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate, 2-(1-Methyl-1H-pyrrole-2-carboxamido)-2-oxoethyl N-(4-methylbenzene-1-sulfonyl)-beta-alaninate
| Molecular Formula | C18H21N3O6S |
|---|---|
| Molecular Weight | 407.12 g/mol |
| LogP | 0.50172 |
| Topological Polar Surface Area | 123.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 407.1151 |
| Heavy Atoms | 28 |
| Complexity | 963.4621 |
Chemical Identifiers
| CAS Number | 5587-05-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC(=O)NC(=O)C2=CC=CN2C |
Product Overview
AB00662939-06 (CAS 5587-05-3), with molecular formula C18H21N3O6S and molecular weight 407.12 g/mol. IUPAC: [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate.
Chemical Property Profile of AB00662939-06
Property Insights of AB00662939-06
The XLogP value of 0.50172 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00662939-06. The TPSA of 123.57 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00662939-06. Following Lipinski's Rule of Five, AB00662939-06 has 2 hydrogen bond donor(s) and 6 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 AB00662939-06?
The CAS number of AB00662939-06 is 5587-05-3.
What is the molecular formula of AB00662939-06?
The molecular formula of AB00662939-06 is C18H21N3O6S.
What is the molecular weight of AB00662939-06?
The molecular weight of AB00662939-06 is 407.12 g/mol.
Where can I buy AB00662939-06?
You can request a quote for AB00662939-06 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00662939-06?
Yes, KEHONG BIO provides custom synthesis services for AB00662939-06 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.