Coumamidine gamma1
TL;DR: Coumamidine gamma1 (CAS 121634-35-3) is a chemical compound with molecular formula C33H49N13O13 and molecular weight 835.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[6-[[6-[4-[3-[(3-amino-3-iminopropyl)amino]-3-oxoprop-1-enyl]phenoxy]-5-(diaminomethylideneamino)-4-hydroxy-2-methyloxan-3-yl]carbamoylamino]-5-(carbamoylamino)-4-hydroxyoxan-3-yl]oxy-7-hydroxy-2-oxo-3,3a,5,6,7,7a-hexahydropyrano[2,3-d]imidazole-1-carboxamide
Also Known As: Coumamidine gamma1
| Molecular Formula | C33H49N13O13 |
|---|---|
| Molecular Weight | 835.36 g/mol |
| LogP | -6.1 |
| Topological Polar Surface Area | 422.0 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 13 |
| Exact Mass | 835.3573 |
| Heavy Atoms | 59 |
| Complexity | 1610.0 |
Chemical Identifiers
| CAS Number | 121634-35-3 |
|---|---|
| SMILES | CC1C(C(C(C(O1)OC2=CC=C(C=C2)C=CC(=O)NCCC(=N)N)N=C(N)N)O)NC(=O)NC3C(C(C(CO3)OC4COC5C(C4O)N(C(=O)N5)C(=O)N)O)NC(=O)N |
| InChIKey | RALPRAPANVNIPH-UHFFFAOYSA-N |
Product Overview
Coumamidine gamma1 (CAS 121634-35-3), with molecular formula C33H49N13O13 and molecular weight 835.36 g/mol. IUPAC: 6-[6-[[6-[4-[3-[(3-amino-3-iminopropyl)amino]-3-oxoprop-1-enyl]phenoxy]-5-(diaminomethylideneamino)-4-hydroxy-2-methyloxan-3-yl]carbamoylamino]-5-(carbamoylamino)-4-hydroxyoxan-3-yl]oxy-7-hydroxy-2-oxo-3,3a,5,6,7,7a-hexahydropyrano[2,3-d]imidazole-1-carboxamide.
Chemical Property Profile of Coumamidine gamma1
Property Insights of Coumamidine gamma1
The XLogP value of -6.1 indicates that Coumamidine gamma1 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 422.0 Ų indicates high polarity, suggesting Coumamidine gamma1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Coumamidine gamma1 has 14 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Coumamidine gamma1?
The CAS number of Coumamidine gamma1 is 121634-35-3.
What is the molecular formula of Coumamidine gamma1?
The molecular formula of Coumamidine gamma1 is C33H49N13O13.
What is the molecular weight of Coumamidine gamma1?
The molecular weight of Coumamidine gamma1 is 835.36 g/mol.
Where can I buy Coumamidine gamma1?
You can request a quote for Coumamidine gamma1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Coumamidine gamma1?
Yes, KEHONG BIO provides custom synthesis services for Coumamidine gamma1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.