carboxamide deriv. 4a
TL;DR: carboxamide deriv. 4a (CAS 204196-85-0) is a chemical compound with molecular formula C11H18N4O5 and molecular weight 286.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R,4S)-3-acetamido-4-amino-2-(2-aminoethylcarbamoyl)-3,4-dihydro-2H-pyran-6-carboxylic acid
Also Known As: carboxamide deriv. 4a, (2R,3R,4S)-3-acetamido-4-amino-2-(2-aminoethylcarbamoyl)-3,4-dihydro-2H-pyran-6-carboxylic acid, (2R,3R,4S)-4-amino-2-[(2-aminoethyl)carbamoyl]-3-acetamido-3,4-dihydro-2H-pyran-6-carboxylic acid, (4S)-4alpha-Amino-5beta-(acetylamino)-6alpha-[(2-aminoethyl)carbamoyl]-5,6-dihydro-4H-pyran-2-carboxylic acid, (4S,5R,6R)-5-(Acetylamino)-4-amino-6-[N-(2-aminoethyl)carbamoyl]-4H-5,6-dihydropyran-2-carboxylic acid
| Molecular Formula | C11H18N4O5 |
|---|---|
| Molecular Weight | 286.13 g/mol |
| LogP | -4.7 |
| Topological Polar Surface Area | 157.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 286.12772 |
| Heavy Atoms | 20 |
| Complexity | 437.0 |
Chemical Identifiers
| CAS Number | 204196-85-0 |
|---|---|
| SMILES | CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1C(=O)NCCN)C(=O)O)N |
| InChIKey | BONXXVHMSQVAOC-NBEYISGCSA-N |
Product Overview
carboxamide deriv. 4a (CAS 204196-85-0), with molecular formula C11H18N4O5 and molecular weight 286.13 g/mol. IUPAC: (2R,3R,4S)-3-acetamido-4-amino-2-(2-aminoethylcarbamoyl)-3,4-dihydro-2H-pyran-6-carboxylic acid.
Chemical Property Profile of carboxamide deriv. 4a
Property Insights of carboxamide deriv. 4a
The XLogP value of -4.7 indicates that carboxamide deriv. 4a is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 157.0 Ų indicates high polarity, suggesting carboxamide deriv. 4a may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, carboxamide deriv. 4a has 5 hydrogen bond donor(s) and 7 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 carboxamide deriv. 4a?
The CAS number of carboxamide deriv. 4a is 204196-85-0.
What is the molecular formula of carboxamide deriv. 4a?
The molecular formula of carboxamide deriv. 4a is C11H18N4O5.
What is the molecular weight of carboxamide deriv. 4a?
The molecular weight of carboxamide deriv. 4a is 286.13 g/mol.
Where can I buy carboxamide deriv. 4a?
You can request a quote for carboxamide deriv. 4a directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for carboxamide deriv. 4a?
Yes, KEHONG BIO provides custom synthesis services for carboxamide deriv. 4a and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.