Hordatine B
TL;DR: Hordatine B (CAS 10502-21-3) is a chemical compound with molecular formula C29H40N8O5 and molecular weight 580.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R)-N-[4-(diaminomethylideneamino)butyl]-5-[(E)-3-[4-(diaminomethylideneamino)butylamino]-3-oxoprop-1-enyl]-2-(4-hydroxyphenyl)-7-methoxy-2,3-dihydro-1-benzofuran-3-carboxamide
Also Known As: Hordatine B, (2R,3R)-N-[4-(diaminomethylideneamino)butyl]-5-[(E)-3-[4-(diaminomethylideneamino)butylamino]-3-oxoprop-1-enyl]-2-(4-hydroxyphenyl)-7-methoxy-2,3-dihydro-1-benzofuran-3-carboxamide, (2R,3R)-N-(4-carbamimidamidobutyl)-5-[(1E)-2-[(4-carbamimidamidobutyl)carbamoyl]eth-1-en-1-yl]-2-(4-hydroxyphenyl)-7-methoxy-2,3-dihydro-1-benzofuran-3-carboxamide, (2R,3R)-N-{4-[(Diaminomethylidene)amino]butyl}-5-[(1E)-3-({4-[(diaminomethylidene)amino]butyl}amino)-3-oxoprop-1-en-1-yl]-2-(4-hydroxyphenyl)-7-methoxy-2,3-dihydro-1-benzofuran-3-carboxamide, N-(4-Guanidinobutyl)-5-[(E)-3-[(4-guanidinobutyl)amino]-3-oxo-1-propenyl]-2,3-dihydro-2beta-(4-hydroxyphenyl)-7-methoxy-3alpha-benzofurancarboxamide
| Molecular Formula | C29H40N8O5 |
|---|---|
| Molecular Weight | 580.31 g/mol |
| LogP | 0.9709 |
| Topological Polar Surface Area | 225.69 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 15 |
| Exact Mass | 580.3122 |
| Heavy Atoms | 42 |
| Complexity | 1301.848 |
Chemical Identifiers
| CAS Number | 10502-21-3 |
|---|---|
| SMILES | COC1=CC(=CC2=C1O[C@H]([C@@H]2C(=O)NCCCCN=C(N)N)C3=CC=C(C=C3)O)/C=C/C(=O)NCCCCN=C(N)N |
Product Overview
Hordatine B (CAS 10502-21-3), with molecular formula C29H40N8O5 and molecular weight 580.31 g/mol. IUPAC: (2R,3R)-N-[4-(diaminomethylideneamino)butyl]-5-[(E)-3-[4-(diaminomethylideneamino)butylamino]-3-oxoprop-1-enyl]-2-(4-hydroxyphenyl)-7-methoxy-2,3-dihydro-1-benzofuran-3-carboxamide.
Chemical Property Profile of Hordatine B
Property Insights of Hordatine B
The XLogP value of 0.9709 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hordatine B. The TPSA of 225.69 Ų indicates high polarity, suggesting Hordatine B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Hordatine B has 7 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hordatine B?
The CAS number of Hordatine B is 10502-21-3.
What is the molecular formula of Hordatine B?
The molecular formula of Hordatine B is C29H40N8O5.
What is the molecular weight of Hordatine B?
The molecular weight of Hordatine B is 580.31 g/mol.
Where can I buy Hordatine B?
You can request a quote for Hordatine B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hordatine B?
Yes, KEHONG BIO provides custom synthesis services for Hordatine B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.