8''-Hydroxypactamycin
TL;DR: 8''-Hydroxypactamycin (CAS 104820-97-5) is a chemical compound with molecular formula C28H38N4O9 and molecular weight 574.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2R,3R,4S,5S)-4-amino-3-(dimethylcarbamoylamino)-1,2-dihydroxy-5-[3-(2-hydroxyacetyl)anilino]-3-(1-hydroxyethyl)-2-methylcyclopentyl]methyl 2-hydroxy-6-methylbenzoate
Also Known As: 8''-Hydroxypactamycin, 8/'/'-hydroxypactamycin, PD 118309, fluorene-3-carboxylic acid methyl ester, [(1S,2R,3R,4S,5S)-4-amino-3-(dimethylcarbamoylamino)-1,2-dihydroxy-5-[3-(2-hydroxyacetyl)anilino]-3-(1-hydroxyethyl)-2-methylcyclopentyl]methyl 2-hydroxy-6-methylbenzoate
| Molecular Formula | C28H38N4O9 |
|---|---|
| Molecular Weight | 574.26 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 215.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 10 |
| Exact Mass | 574.26385 |
| Heavy Atoms | 41 |
| Complexity | 969.0 |
Chemical Identifiers
| CAS Number | 104820-97-5 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)O)C(=O)OC[C@]2([C@H]([C@@H]([C@]([C@@]2(C)O)(C(C)O)NC(=O)N(C)C)N)NC3=CC=CC(=C3)C(=O)CO)O |
| InChIKey | REZOEBXINKYJRQ-HTTUFWJVSA-N |
Product Overview
8''-Hydroxypactamycin (CAS 104820-97-5), with molecular formula C28H38N4O9 and molecular weight 574.26 g/mol. IUPAC: [(1S,2R,3R,4S,5S)-4-amino-3-(dimethylcarbamoylamino)-1,2-dihydroxy-5-[3-(2-hydroxyacetyl)anilino]-3-(1-hydroxyethyl)-2-methylcyclopentyl]methyl 2-hydroxy-6-methylbenzoate.
Chemical Property Profile of 8''-Hydroxypactamycin
Property Insights of 8''-Hydroxypactamycin
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8''-Hydroxypactamycin. The TPSA of 215.0 Ų indicates high polarity, suggesting 8''-Hydroxypactamycin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 8''-Hydroxypactamycin has 8 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 8''-Hydroxypactamycin?
The CAS number of 8''-Hydroxypactamycin is 104820-97-5.
What is the molecular formula of 8''-Hydroxypactamycin?
The molecular formula of 8''-Hydroxypactamycin is C28H38N4O9.
What is the molecular weight of 8''-Hydroxypactamycin?
The molecular weight of 8''-Hydroxypactamycin is 574.26 g/mol.
Where can I buy 8''-Hydroxypactamycin?
You can request a quote for 8''-Hydroxypactamycin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8''-Hydroxypactamycin?
Yes, KEHONG BIO provides custom synthesis services for 8''-Hydroxypactamycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.