密旋霉素
TL;DR: 密旋霉素 (CAS 23668-11-3) is a chemical compound with molecular formula C28H38N4O8 and molecular weight 558.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
密旋霉素
(2-hydroxy-6-methylphenyl) 2-[(1S,2R,3R,4S,5S)-5-(3-acetylanilino)-4-amino-3-(dimethylcarbamoylamino)-1,2-dihydroxy-3-[(1S)-1-hydroxyethyl]-2-methylcyclopentyl]acetate
Also Known As: A 80856F30, U-15800, (2-hydroxy-6-methyl-phenyl) 2-[(1S,2R,3R,4S,5S)-5-(3-acetylanilino)-4-amino-3-(dimethylcarbamoylamino)-1,2-dihydroxy-3-[(1S)-1-hydroxyethyl]-2-methyl-cyclopentyl]acetate, (2-hydroxy-6-methylphenyl) 2-[(1S,2R,3R,4S,5S)-5-(3-acetylanilino)-4-amino-3-(dimethylcarbamoylamino)-1,2-dihydroxy-3-[(1S)-1-hydroxyethyl]-2-methylcyclopentyl]acetate, Cyclopentaneacetic acid, 5-[(3-acetylphenyl)amino]-4-amino-3-[[(dimethylamino)carbonyl]amino]-1,2-dihydroxy-3-[(1S)-1-hydroxyethyl]-2-methyl-, 2-hydroxy-6-methylphenyl ester, (1S,2R,3R,4S,5S)-
| Molecular Formula | C28H38N4O8 |
|---|---|
| Molecular Weight | 558.27 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 195.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 558.269 |
| Heavy Atoms | 40 |
| Complexity | 951.0 |
Chemical Identifiers
| CAS Number | 23668-11-3 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)O)OC(=O)C[C@@]2([C@H]([C@@H]([C@]([C@@]2(C)O)([C@H](C)O)NC(=O)N(C)C)N)NC3=CC=CC(=C3)C(=O)C)O |
| InChIKey | JOCBSFBITWFOBF-AEMQURTFSA-N |
Product Overview
密旋霉素 (CAS 23668-11-3), with molecular formula C28H38N4O8 and molecular weight 558.27 g/mol. IUPAC: (2-hydroxy-6-methylphenyl) 2-[(1S,2R,3R,4S,5S)-5-(3-acetylanilino)-4-amino-3-(dimethylcarbamoylamino)-1,2-dihydroxy-3-[(1S)-1-hydroxyethyl]-2-methylcyclopentyl]acetate.
Chemical Property Profile of 密旋霉素
Property Insights of 密旋霉素
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 密旋霉素. The TPSA of 195.0 Ų indicates high polarity, suggesting 密旋霉素 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 密旋霉素 has 7 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 密旋霉素?
The CAS number of 密旋霉素 is 23668-11-3.
What is the molecular formula of 密旋霉素?
The molecular formula of 密旋霉素 is C28H38N4O8.
What is the molecular weight of 密旋霉素?
The molecular weight of 密旋霉素 is 558.27 g/mol.
Where can I buy 密旋霉素?
You can request a quote for 密旋霉素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 密旋霉素?
Yes, KEHONG BIO provides custom synthesis services for 密旋霉素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.