UPCMLD0ENAT0513-5080:001
TL;DR: UPCMLD0ENAT0513-5080:001 (CAS 374693-73-9) is a chemical compound with molecular formula C25H25N3O3S2 and molecular weight 479.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanyl-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
Also Known As: UPCMLD0ENAT0513-5080:001, 10-[(2-{1-[(furan-2-yl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-oxoethyl)sulfanyl]-11-(prop-2-en-1-yl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-12-one, 10-({2-[1-(furan-2-ylmethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl}sulfanyl)-11-(prop-2-en-1-yl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-12-one, 2-{2-[1-(2-furylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethylthio}-3-prop-2-enyl -3,5,6,7-tetrahydrocyclopenta[2,1-d]pyrimidino[4,5-b]thiophen-4-one, 3-allyl-2-({2-[1-(2-furylmethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl}thio)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
| Molecular Formula | C25H25N3O3S2 |
|---|---|
| Molecular Weight | 479.13 g/mol |
| LogP | 5.16734 |
| Topological Polar Surface Area | 70.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 479.13373 |
| Heavy Atoms | 33 |
| Complexity | 1423.6947 |
Chemical Identifiers
| CAS Number | 374693-73-9 |
|---|---|
| SMILES | CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)CSC3=NC4=C(C5=C(S4)CCC5)C(=O)N3CC=C |
Product Overview
UPCMLD0ENAT0513-5080:001 (CAS 374693-73-9), with molecular formula C25H25N3O3S2 and molecular weight 479.13 g/mol. IUPAC: 10-[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanyl-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one.
Chemical Property Profile of UPCMLD0ENAT0513-5080:001
Property Insights of UPCMLD0ENAT0513-5080:001
The XLogP value of 5.16734 indicates that UPCMLD0ENAT0513-5080:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.03 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT0513-5080:001. Following Lipinski's Rule of Five, UPCMLD0ENAT0513-5080:001 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of UPCMLD0ENAT0513-5080:001?
The CAS number of UPCMLD0ENAT0513-5080:001 is 374693-73-9.
What is the molecular formula of UPCMLD0ENAT0513-5080:001?
The molecular formula of UPCMLD0ENAT0513-5080:001 is C25H25N3O3S2.
What is the molecular weight of UPCMLD0ENAT0513-5080:001?
The molecular weight of UPCMLD0ENAT0513-5080:001 is 479.13 g/mol.
Where can I buy UPCMLD0ENAT0513-5080:001?
You can request a quote for UPCMLD0ENAT0513-5080:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT0513-5080:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT0513-5080:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.