CTK2I0763
TL;DR: CTK2I0763 (CAS 71033-04-0) is a chemical compound with molecular formula C45H76N6O14S2 and molecular weight 988.49 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-bis(6-isocyanatohexyl)-1-(6-isocyanatohexylcarbamoyl)urea;2-ethylhexyl prop-2-enoate;methyl 2-methylprop-2-enoate;2-sulfanylbut-2-enedioic acid;2-sulfanylethanol
Also Known As: 2-Butenedioic acid, 2-mercapto-, polymer with 2-ethylhexyl 2-propenoate, 2-mercaptoethanol, methyl 2-methyl-2-propenoate and N,N',2-tris(6-isocyanatohexyl)imidodicarbonic diamide, (C23-H38-N6-O5.C11-H20-O2.C5-H8-O2.C4-H4-O4-S.C2-H6-O-S)x-, 1,3-bis(6-isocyanatohexyl)-1-(6-isocyanatohexylcarbamoyl)urea; 2-ethylhexyl prop-2-enoate; methyl 2-methylprop-2-enoate; (Z)-2-sulfanylbut-2-enedioic acid; 2-sulfanylethanol, 2-Butenedioic acid, 2-mercapto-, polymer with 2-ethylhexyl 2-propenoate, 2-mercaptoethanol, methyl 2-methyl-2-propenoate andN,N',2-tris(6-isocyanatohexyl)imidodicarbonic diamide
| Molecular Formula | C45H76N6O14S2 |
|---|---|
| Molecular Weight | 988.49 g/mol |
| LogP | 6.9415 |
| Topological Polar Surface Area | 299.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 34 |
| Exact Mass | 988.4861 |
| Heavy Atoms | 67 |
| Complexity | 1080.0 |
Chemical Identifiers
| CAS Number | 71033-04-0 |
|---|---|
| SMILES | CCCCC(CC)COC(=O)C=C.CC(=C)C(=O)OC.C(CCCN=C=O)CCNC(=O)N(CCCCCCN=C=O)C(=O)NCCCCCCN=C=O.C(CS)O.C(=C(C(=O)O)S)C(=O)O |
| InChIKey | JEBRAFBDOJQVMQ-UHFFFAOYSA-N |
Product Overview
CTK2I0763 (CAS 71033-04-0), with molecular formula C45H76N6O14S2 and molecular weight 988.49 g/mol. IUPAC: 1,3-bis(6-isocyanatohexyl)-1-(6-isocyanatohexylcarbamoyl)urea;2-ethylhexyl prop-2-enoate;methyl 2-methylprop-2-enoate;2-sulfanylbut-2-enedioic acid;2-sulfanylethanol.
Chemical Property Profile of CTK2I0763
Property Insights of CTK2I0763
The XLogP value of 6.9415 indicates that CTK2I0763 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 299.0 Ų indicates high polarity, suggesting CTK2I0763 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CTK2I0763 has 7 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CTK2I0763?
The CAS number of CTK2I0763 is 71033-04-0.
What is the molecular formula of CTK2I0763?
The molecular formula of CTK2I0763 is C45H76N6O14S2.
What is the molecular weight of CTK2I0763?
The molecular weight of CTK2I0763 is 988.49 g/mol.
Where can I buy CTK2I0763?
You can request a quote for CTK2I0763 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK2I0763?
Yes, KEHONG BIO provides custom synthesis services for CTK2I0763 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.