I01-19743
TL;DR: I01-19743 (CAS 58180-53-3) is a chemical compound with molecular formula C29H40N2O10 and molecular weight 576.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butane-1,1-diol;butane-1,4-diol;hexanedioic acid;1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene
Also Known As: I01-19743, Hexanedioic acid, polymer with butanediol, 1,4-butanediol and 1,1'-methylenebis(4-isocyanatobenzene), Adipic acid, butanediol, p,p-diphenylmethane diisocyanate, 1,4-butanediol polymer, (C15-H10-N2-O2.C6-H10-O4.C4-H10-O2.C4-H10-O2)x-, butane-1,1-diol;butane-1,4-diol;hexanedioic acid;1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene
| Molecular Formula | C29H40N2O10 |
|---|---|
| Molecular Weight | 576.27 g/mol |
| LogP | 3.7764 |
| Topological Polar Surface Area | 214.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 14 |
| Exact Mass | 576.2683 |
| Heavy Atoms | 41 |
| Complexity | 490.0 |
Chemical Identifiers
| CAS Number | 58180-53-3 |
|---|---|
| SMILES | CCCC(O)O.C1=CC(=CC=C1CC2=CC=C(C=C2)N=C=O)N=C=O.C(CCC(=O)O)CC(=O)O.C(CCO)CO |
| InChIKey | VVXQIZIMUGBDHA-UHFFFAOYSA-N |
Product Overview
I01-19743 (CAS 58180-53-3), with molecular formula C29H40N2O10 and molecular weight 576.27 g/mol. IUPAC: butane-1,1-diol;butane-1,4-diol;hexanedioic acid;1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene.
Chemical Property Profile of I01-19743
Property Insights of I01-19743
The XLogP value of 3.7764 indicates that I01-19743 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 214.0 Ų indicates high polarity, suggesting I01-19743 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, I01-19743 has 6 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of I01-19743?
The CAS number of I01-19743 is 58180-53-3.
What is the molecular formula of I01-19743?
The molecular formula of I01-19743 is C29H40N2O10.
What is the molecular weight of I01-19743?
The molecular weight of I01-19743 is 576.27 g/mol.
Where can I buy I01-19743?
You can request a quote for I01-19743 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for I01-19743?
Yes, KEHONG BIO provides custom synthesis services for I01-19743 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.