RefChem:272661
TL;DR: RefChem:272661 (CAS 80082-09-3) is a chemical compound with molecular formula C34H40N7O8+ and molecular weight 674.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[bis(carboxymethyl)amino]ethyl-[2-[3-[[4-(3,8-diamino-5-methylphenanthridin-5-ium-6-yl)benzoyl]amino]propylamino]-2-oxoethyl]amino]acetic acid
Also Known As: 3,8-Diamino-6-[4-[13-carboxy-9,12-bis(carboxymethyl)-1,7-dioxo-2,6,9,12-tetraazatridec-1-yl]phenyl]-5-methylphenanthridinium, 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[3-[[4-(3,8-diamino-5-methylphenanthridin-5-ium-6-yl)benzoyl]amino]propylamino]-2-oxoethyl]amino]acetic acid, 3,8-Diamino-6-(4-(13-carboxy-9,12-bis(carboxymethyl)-1,7-dioxo-2,6,9,12-tetraazatridec-1-yl)phenyl)-5-methylphenanthridinium, RefChem:272661
| Molecular Formula | C34H40N7O8+ |
|---|---|
| Molecular Weight | 674.29 g/mol |
| LogP | 0.7428 |
| Topological Polar Surface Area | 232.5 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 17 |
| Exact Mass | 674.2938 |
| Heavy Atoms | 49 |
| Complexity | 1864.7406 |
Chemical Identifiers
| CAS Number | 80082-09-3 |
|---|---|
| SMILES | C[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=C(C=C4)C(=O)NCCCNC(=O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)N)N |
Product Overview
RefChem:272661 (CAS 80082-09-3), with molecular formula C34H40N7O8+ and molecular weight 674.29 g/mol. IUPAC: 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[3-[[4-(3,8-diamino-5-methylphenanthridin-5-ium-6-yl)benzoyl]amino]propylamino]-2-oxoethyl]amino]acetic acid.
Chemical Property Profile of RefChem:272661
Property Insights of RefChem:272661
The XLogP value of 0.7428 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:272661. The TPSA of 232.5 Ų indicates high polarity, suggesting RefChem:272661 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:272661 has 7 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:272661?
The CAS number of RefChem:272661 is 80082-09-3.
What is the molecular formula of RefChem:272661?
The molecular formula of RefChem:272661 is C34H40N7O8+.
What is the molecular weight of RefChem:272661?
The molecular weight of RefChem:272661 is 674.29 g/mol.
Where can I buy RefChem:272661?
You can request a quote for RefChem:272661 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:272661?
Yes, KEHONG BIO provides custom synthesis services for RefChem:272661 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.