5'-Guanidinonaltrindole
TL;DR: 5'-Guanidinonaltrindole (CAS 219655-57-9) is a chemical compound with molecular formula C27H29N5O3 and molecular weight 471.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[22-(cyclopropylmethyl)-2,16-dihydroxy-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5(10),6,8,15,17,19(25)-heptaen-7-yl]guanidine
Also Known As: 5'-Guanidinonaltrindole, Guanidinyl naltrindole, BRD-A33084410-300-01-0, 2-[22-(Cyclopropylmethyl)-2,16-dihydroxy-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5(10),6,8,15,17,19(25)-heptaen-7-yl]guanidine, 2-[(1S,2S,13R,21R)-22-(cyclopropylmethyl)-2,16-dihydroxy-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5(10),6,8,15,17,19(25)-heptaen-7-yl]guanidine
| Molecular Formula | C27H29N5O3 |
|---|---|
| Molecular Weight | 471.23 g/mol |
| LogP | 2.4775 |
| Topological Polar Surface Area | 133.12 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 471.22705 |
| Heavy Atoms | 35 |
| Complexity | 1454.758 |
Chemical Identifiers
| CAS Number | 219655-57-9 |
|---|---|
| SMILES | C1CC1CN2CCC34C5C6=C(CC3(C2CC7=C4C(=C(C=C7)O)O5)O)C8=C(N6)C=CC(=C8)N=C(N)N |
Product Overview
5'-Guanidinonaltrindole (CAS 219655-57-9), with molecular formula C27H29N5O3 and molecular weight 471.23 g/mol. IUPAC: 2-[22-(cyclopropylmethyl)-2,16-dihydroxy-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5(10),6,8,15,17,19(25)-heptaen-7-yl]guanidine.
Chemical Property Profile of 5'-Guanidinonaltrindole
Property Insights of 5'-Guanidinonaltrindole
The XLogP value of 2.4775 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5'-Guanidinonaltrindole. The TPSA of 133.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 5'-Guanidinonaltrindole. Following Lipinski's Rule of Five, 5'-Guanidinonaltrindole has 5 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5'-Guanidinonaltrindole?
The CAS number of 5'-Guanidinonaltrindole is 219655-57-9.
What is the molecular formula of 5'-Guanidinonaltrindole?
The molecular formula of 5'-Guanidinonaltrindole is C27H29N5O3.
What is the molecular weight of 5'-Guanidinonaltrindole?
The molecular weight of 5'-Guanidinonaltrindole is 471.23 g/mol.
Where can I buy 5'-Guanidinonaltrindole?
You can request a quote for 5'-Guanidinonaltrindole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5'-Guanidinonaltrindole?
Yes, KEHONG BIO provides custom synthesis services for 5'-Guanidinonaltrindole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.