Cirramycin A1
TL;DR: Cirramycin A1 (CAS 25339-90-6) is a chemical compound with molecular formula C31H51NO10 and molecular weight 597.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[9-[4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-ethyl-7-hydroxy-2,8,12,16-tetramethyl-5,13-dioxo-4,17-dioxabicyclo[14.1.0]heptadec-14-en-10-yl]acetaldehyde
Also Known As: Cirramycin A1, NCI60_001969, 2-[(14E)-9-[4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-y, 2-[9-[4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-ethyl-7-hydroxy-2,8,12,16-tetramethyl-5,13-dioxo-4,17-dioxabicyclo[14.1.0]heptadec-14-en-10-yl]acetaldehyde
| Molecular Formula | C31H51NO10 |
|---|---|
| Molecular Weight | 597.35 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 155.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 6 |
| Exact Mass | 597.3513 |
| Heavy Atoms | 42 |
| Complexity | 973.0 |
Chemical Identifiers
| CAS Number | 25339-90-6 |
|---|---|
| SMILES | CCC1C(C2C(O2)(C=CC(=O)C(CC(C(C(C(CC(=O)O1)O)C)OC3C(C(C(C(O3)C)O)N(C)C)O)CC=O)C)C)C |
| InChIKey | PYLRKBRNWXMGSG-UHFFFAOYSA-N |
Product Overview
Cirramycin A1 (CAS 25339-90-6), with molecular formula C31H51NO10 and molecular weight 597.35 g/mol. IUPAC: 2-[9-[4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-ethyl-7-hydroxy-2,8,12,16-tetramethyl-5,13-dioxo-4,17-dioxabicyclo[14.1.0]heptadec-14-en-10-yl]acetaldehyde.
Chemical Property Profile of Cirramycin A1
Property Insights of Cirramycin A1
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cirramycin A1. The TPSA of 155.0 Ų indicates high polarity, suggesting Cirramycin A1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cirramycin A1 has 3 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 Cirramycin A1?
The CAS number of Cirramycin A1 is 25339-90-6.
What is the molecular formula of Cirramycin A1?
The molecular formula of Cirramycin A1 is C31H51NO10.
What is the molecular weight of Cirramycin A1?
The molecular weight of Cirramycin A1 is 597.35 g/mol.
Where can I buy Cirramycin A1?
You can request a quote for Cirramycin A1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cirramycin A1?
Yes, KEHONG BIO provides custom synthesis services for Cirramycin A1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.