PACTAMYCIN
TL;DR: PACTAMYCIN (CAS 1405-46-5) 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.
[(3R,5S)-5-(3-acetylanilino)-4-amino-3-(dimethylcarbamoylamino)-1,2-dihydroxy-3-[(1S)-1-hydroxyethyl]-2-methylcyclopentyl]methyl 2-hydroxy-6-methylbenzoate
Also Known As: Upjohn culture 135bt, SK 27773, AI3-51038, U 15800, U-15800
| Molecular Formula | C28H38N4O8 |
|---|---|
| Molecular Weight | 558.27 g/mol |
| LogP | 0.9 |
| 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 | 1405-46-5 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)O)C(=O)OCC2([C@H](C([C@](C2(C)O)([C@H](C)O)NC(=O)N(C)C)N)NC3=CC=CC(=C3)C(=O)C)O |
| InChIKey | WVIUOSJLUCTGFK-HLOQPWDHSA-N |
Product Overview
PACTAMYCIN (CAS 1405-46-5), with molecular formula C28H38N4O8 and molecular weight 558.27 g/mol. IUPAC: [(3R,5S)-5-(3-acetylanilino)-4-amino-3-(dimethylcarbamoylamino)-1,2-dihydroxy-3-[(1S)-1-hydroxyethyl]-2-methylcyclopentyl]methyl 2-hydroxy-6-methylbenzoate.
Chemical Property Profile of PACTAMYCIN
Property Insights of PACTAMYCIN
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for PACTAMYCIN. The TPSA of 195.0 Ų indicates high polarity, suggesting PACTAMYCIN may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, PACTAMYCIN 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 PACTAMYCIN?
The CAS number of PACTAMYCIN is 1405-46-5.
What is the molecular formula of PACTAMYCIN?
The molecular formula of PACTAMYCIN is C28H38N4O8.
What is the molecular weight of PACTAMYCIN?
The molecular weight of PACTAMYCIN is 558.27 g/mol.
Where can I buy PACTAMYCIN?
You can request a quote for PACTAMYCIN directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for PACTAMYCIN?
Yes, KEHONG BIO provides custom synthesis services for PACTAMYCIN and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.