曲贝替定
TL;DR: 曲贝替定 (CAS 114899-77-3) is a chemical compound with molecular formula C39H43N3O11S and molecular weight 761.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
曲贝替定
(5,6',12-trihydroxy-6,7'-dimethoxy-7,21,30-trimethyl-27-oxospiro[17,19,28-trioxa-24-thia-13,30-diazaheptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triaconta-4(9),5,7,15,20,22-hexaene-26,1'-3,4-dihydro-2H-isoquinoline]-22-yl) acetate
Also Known As: Trabectedin, Ecteinascidin, ecteinascidin 743, Yondelis, Trabectedin [INN]
| Molecular Formula | C39H43N3O11S |
|---|---|
| Molecular Weight | 761.26 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 194.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 4 |
| Exact Mass | 761.26184 |
| Heavy Atoms | 54 |
| Complexity | 1450.0 |
Chemical Identifiers
| CAS Number | 114899-77-3 |
|---|---|
| SMILES | CC1=CC2=C(C3C4C5C6=C(C(=C7C(=C6C(N4C(C(C2)N3C)O)COC(=O)C8(CS5)C9=CC(=C(C=C9CCN8)O)OC)OCO7)C)OC(=O)C)C(=C1OC)O |
| InChIKey | PKVRCIRHQMSYJX-UHFFFAOYSA-N |
Product Overview
曲贝替定 (CAS 114899-77-3), with molecular formula C39H43N3O11S and molecular weight 761.26 g/mol. IUPAC: (5,6',12-trihydroxy-6,7'-dimethoxy-7,21,30-trimethyl-27-oxospiro[17,19,28-trioxa-24-thia-13,30-diazaheptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triaconta-4(9),5,7,15,20,22-hexaene-26,1'-3,4-dihydro-2H-isoquinoline]-22-yl) acetate.
Chemical Property Profile of 曲贝替定
Property Insights of 曲贝替定
The XLogP value of 3.4 indicates that 海鞘素-743 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 194.0 Ų indicates high polarity, suggesting 曲贝替定 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 海鞘素-743 has 4 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 海鞘素-743?
The CAS number of 海鞘素-743 is 114899-77-3.
What is the molecular formula of 海鞘素-743?
The molecular formula of 海鞘素-743 is C39H43N3O11S.
What is the molecular weight of 海鞘素-743?
The molecular weight of 海鞘素-743 is 761.26 g/mol.
Where can I buy 海鞘素-743?
You can request a quote for 海鞘素-743 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 海鞘素-743?
Yes, KEHONG BIO provides custom synthesis services for 海鞘素-743 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.