Antibiotic K 252a
TL;DR: Antibiotic K 252a (CAS 171333-67-8) is a chemical compound with molecular formula C27H21N3O5 and molecular weight 467.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (15S,16S)-16-hydroxy-15-methyl-3-oxo-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaene-16-carboxylate
Also Known As: Antibiotic K 252a, K252a, k-252a, (5S,6S)-Methyl 6-hydroxy-5-methyl-13-oxo-6,7,8,13,14,15-hexahydro-5H-16-oxa-4b,8a,14-triaza-5,8-methanodibenzo[b,h]cycloocta[jkl]cyclopenta[e]-as-indacene-6-carboxylate, (5S,6S)-Methyl6-hydroxy-5-methyl-13-oxo-6,7,8,13,14,15-hexahydro-5H-16-oxa-4b,8a,14-triaza-5,8-methanodibenzo[b,h]cycloocta[jkl]cyclopenta[e]-as-indacene-6-carboxylate
| Molecular Formula | C27H21N3O5 |
|---|---|
| Molecular Weight | 467.15 g/mol |
| LogP | 3.6551 |
| Topological Polar Surface Area | 94.72 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 467.14813 |
| Heavy Atoms | 35 |
| Complexity | 1831.4421 |
Chemical Identifiers
| CAS Number | 171333-67-8 |
|---|---|
| SMILES | C[C@@]12[C@@](CC(O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(C(=O)OC)O |
Product Overview
Antibiotic K 252a (CAS 171333-67-8), with molecular formula C27H21N3O5 and molecular weight 467.15 g/mol. IUPAC: methyl (15S,16S)-16-hydroxy-15-methyl-3-oxo-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaene-16-carboxylate.
Chemical Property Profile of Antibiotic K 252a
Property Insights of Antibiotic K 252a
The XLogP value of 3.6551 indicates that Antibiotic K 252a is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.72 Ų falls within the moderate polarity range, balancing permeability and solubility for Antibiotic K 252a. Following Lipinski's Rule of Five, Antibiotic K 252a 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 Antibiotic K 252a?
The CAS number of Antibiotic K 252a is 171333-67-8.
What is the molecular formula of Antibiotic K 252a?
The molecular formula of Antibiotic K 252a is C27H21N3O5.
What is the molecular weight of Antibiotic K 252a?
The molecular weight of Antibiotic K 252a is 467.15 g/mol.
Where can I buy Antibiotic K 252a?
You can request a quote for Antibiotic K 252a directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Antibiotic K 252a?
Yes, KEHONG BIO provides custom synthesis services for Antibiotic K 252a and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.