Cinnamtannin B1
TL;DR: Cinnamtannin B1 (CAS 88082-60-4) is a chemical compound with molecular formula C45H36O18 and molecular weight 864.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,5R,6R,7S,13S,21R)-5,13-bis(3,4-dihydroxyphenyl)-7-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19,21-pentol
Also Known As: Cinnamtannin B1, cinnamtannin B-1, Cinnamtannin B, Cinnamtannin 1, Cinnamtannin B-1 (Standard)
| Molecular Formula | C45H36O18 |
|---|---|
| Molecular Weight | 864.19 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 320.0 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 4 |
| Exact Mass | 864.1902 |
| Heavy Atoms | 63 |
| Complexity | 1610.0 |
Chemical Identifiers
| CAS Number | 88082-60-4 |
|---|---|
| SMILES | C1[C@H]([C@H](OC2=C1C(=CC(=C2[C@@H]3[C@H]([C@H](OC4=C3C(=CC5=C4[C@@H]6[C@H]([C@](O5)(OC7=CC(=CC(=C67)O)O)C8=CC(=C(C=C8)O)O)O)O)C9=CC(=C(C=C9)O)O)O)O)O)C1=CC(=C(C=C1)O)O)O |
| InChIKey | BYSRPHRKESMCPO-LQNPQWRQSA-N |
Product Overview
Cinnamtannin B1 (CAS 88082-60-4), with molecular formula C45H36O18 and molecular weight 864.19 g/mol. IUPAC: (1R,5R,6R,7S,13S,21R)-5,13-bis(3,4-dihydroxyphenyl)-7-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19,21-pentol.
Chemical Property Profile of Cinnamtannin B1
Property Insights of Cinnamtannin B1
The XLogP value of 3.3 indicates that Cinnamtannin B1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 320.0 Ų indicates high polarity, suggesting Cinnamtannin B1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cinnamtannin B1 has 14 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cinnamtannin B1?
The CAS number of Cinnamtannin B1 is 88082-60-4.
What is the molecular formula of Cinnamtannin B1?
The molecular formula of Cinnamtannin B1 is C45H36O18.
What is the molecular weight of Cinnamtannin B1?
The molecular weight of Cinnamtannin B1 is 864.19 g/mol.
Where can I buy Cinnamtannin B1?
You can request a quote for Cinnamtannin B1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cinnamtannin B1?
Yes, KEHONG BIO provides custom synthesis services for Cinnamtannin B1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.