C38H42N8O6S2
TL;DR: C38H42N8O6S2 (CAS 2667-89-2) is a chemical compound with molecular formula C38H42N8O6S2 and molecular weight 770.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-3-[[2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-benzoyloxypent-2-en-3-yl]disulfanyl]pent-3-enyl] benzoate
Also Known As: Bisbentiamine, Bisbentiamina, Bisbentiaminum, Beprocin, Beston
| Molecular Formula | C38H42N8O6S2 |
|---|---|
| Molecular Weight | 770.27 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 247.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 19 |
| Exact Mass | 770.26685 |
| Heavy Atoms | 54 |
| Complexity | 1200.0 |
Chemical Identifiers
| CAS Number | 2667-89-2 |
|---|---|
| SMILES | CC1=NC=C(C(=N1)N)CN(C=O)C(=C(CCOC(=O)C2=CC=CC=C2)SSC(=C(C)N(CC3=CN=C(N=C3N)C)C=O)CCOC(=O)C4=CC=CC=C4)C |
| InChIKey | IWXAZSAGYJHXPX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
C38H42N8O6S2 (CAS 2667-89-2), with molecular formula C38H42N8O6S2 and molecular weight 770.27 g/mol. IUPAC: [4-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-3-[[2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-benzoyloxypent-2-en-3-yl]disulfanyl]pent-3-enyl] benzoate.
Chemical Property Profile of C38H42N8O6S2
Property Insights of C38H42N8O6S2
The XLogP value of 4.0 indicates that C38H42N8O6S2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 247.0 Ų indicates high polarity, suggesting C38H42N8O6S2 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C38H42N8O6S2 has 2 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C38H42N8O6S2?
The CAS number of C38H42N8O6S2 is 2667-89-2.
What is the molecular formula of C38H42N8O6S2?
The molecular formula of C38H42N8O6S2 is C38H42N8O6S2.
What is the molecular weight of C38H42N8O6S2?
The molecular weight of C38H42N8O6S2 is 770.27 g/mol.
Where can I buy C38H42N8O6S2?
You can request a quote for C38H42N8O6S2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C38H42N8O6S2?
Yes, KEHONG BIO provides custom synthesis services for C38H42N8O6S2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.